PubChemLite - 2-methyl-5-oxo-n-(pyridin-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide (C25H27N3O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C25H27N3O5/c1-14-21(25(30)28-20-10-5-6-11-26-20)22(23-16(27-14)8-7-9-17(23)29)15-12-18(31-2)24(33-4)19(13-15)32-3/h5-6,10-13,22,27H,7-9H2,1-4H3,(H,26,28,30)

InChIKey

HFJTWOKRPYXTLB-UHFFFAOYSA-N

Compound name

2-methyl-5-oxo-N-pyridin-2-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

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]+	450.20235	210.4
[M+Na]+	472.18429	223.7
[M+NH4]+	467.22889	215.3
[M+K]+	488.15823	217.0
[M-H]-	448.18779	215.0
[M+Na-2H]-	470.16974	215.8
[M]+	449.19452	213.4
[M]-	449.19562	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.20235

210.4

[M+Na]+

472.18429

223.7

[M+NH4]+

467.22889

215.3

[M+K]+

488.15823

217.0

[M-H]-

448.18779

215.0

[M+Na-2H]-

470.16974

215.8

[M]+

449.19452

213.4

[M]-

449.19562

213.4

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

2-methyl-5-oxo-n-(pyridin-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe