PubChemLite - Gnf-pf-5022 (C28H29N7O2)

Structural Information

Molecular Formula

SMILES

CC1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NCC(N5)C)N

InChI

InChI=1S/C28H29N7O2/c1-16-14-30-25(32-16)18-3-8-21(9-4-18)34-27(36)20-7-12-23(24(29)13-20)28(37)35-22-10-5-19(6-11-22)26-31-15-17(2)33-26/h3-13,16-17H,14-15,29H2,1-2H3,(H,30,32)(H,31,33)(H,34,36)(H,35,37)

InChIKey

VEWNADUEXBCCOQ-UHFFFAOYSA-N

Compound name

2-amino-1-N,4-N-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-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]+	496.24556	214.2
[M+Na]+	518.22750	217.2
[M-H]-	494.23100	223.4
[M+NH4]+	513.27210	216.1
[M+K]+	534.20144	209.2
[M+H-H2O]+	478.23554	202.2
[M+HCOO]-	540.23648	229.5
[M+CH3COO]-	554.25213	219.4
[M+Na-2H]-	516.21295	209.9
[M]+	495.23773	207.9
[M]-	495.23883	207.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.24556

214.2

[M+Na]+

518.22750

217.2

[M-H]-

494.23100

223.4

[M+NH4]+

513.27210

216.1

[M+K]+

534.20144

209.2

[M+H-H2O]+

478.23554

202.2

[M+HCOO]-

540.23648

229.5

[M+CH3COO]-

554.25213

219.4

[M+Na-2H]-

516.21295

209.9

[M]+

495.23773

207.9

[M]-

495.23883

207.9

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

Gnf-pf-5022

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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