PubChemLite - N3,n5-bis(2,5-dimethylphenyl)-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (C31H33N3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3O)C(=O)NC4=C(C=CC(=C4)C)C)C)C

InChI

InChI=1S/C31H33N3O3/c1-17-11-13-19(3)24(15-17)33-30(36)27-21(5)32-22(6)28(29(27)23-9-7-8-10-26(23)35)31(37)34-25-16-18(2)12-14-20(25)4/h7-16,29,32,35H,1-6H3,(H,33,36)(H,34,37)

InChIKey

CTENSDYVSIZDCI-UHFFFAOYSA-N

Compound name

3-N,5-N-bis(2,5-dimethylphenyl)-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	496.25948	227.7
[M+Na]+	518.24142	233.0
[M-H]-	494.24492	236.9
[M+NH4]+	513.28602	231.4
[M+K]+	534.21536	226.1
[M+H-H2O]+	478.24946	215.9
[M+HCOO]-	540.25040	243.4
[M+CH3COO]-	554.26605	250.0
[M+Na-2H]-	516.22687	222.3
[M]+	495.25165	226.4
[M]-	495.25275	226.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.25948

227.7

[M+Na]+

518.24142

233.0

[M-H]-

494.24492

236.9

[M+NH4]+

513.28602

231.4

[M+K]+

534.21536

226.1

[M+H-H2O]+

478.24946

215.9

[M+HCOO]-

540.25040

243.4

[M+CH3COO]-

554.26605

250.0

[M+Na-2H]-

516.22687

222.3

[M]+

495.25165

226.4

[M]-

495.25275

226.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N3,n5-bis(2,5-dimethylphenyl)-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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