PubChemLite - Bms-193885 (C33H42N4O6)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=O)NCCCN3CCC(CC3)C4=CC(=CC=C4)OC)C(=O)OC

InChI

InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40)

InChIKey

WMYSXJSJXZFODY-UHFFFAOYSA-N

Compound name

dimethyl 4-[3-[3-[4-(3-methoxyphenyl)piperidin-1-yl]propylcarbamoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

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]+	591.31768	246.6
[M+Na]+	613.29962	255.6
[M+NH4]+	608.34422	248.2
[M+K]+	629.27356	250.2
[M-H]-	589.30312	251.4
[M+Na-2H]-	611.28507	250.5
[M]+	590.30985	248.6
[M]-	590.31095	248.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

591.31768

246.6

[M+Na]+

613.29962

255.6

[M+NH4]+

608.34422

248.2

[M+K]+

629.27356

250.2

[M-H]-

589.30312

251.4

[M+Na-2H]-

611.28507

250.5

[M]+

590.30985

248.6

[M]-

590.31095

248.6

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

Bms-193885

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe