CID 5277412

Carbamic acid, [2-(1,3-benzodioxol-5-yl)-4-[3-phenyl-1-(phenylmethyl)propyl]-1h-imidazo[4,5-c]pyridin-6-yl]-, ethyl ester

Structural Information

Molecular Formula
C32H30N4O4
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC4=C(C=C3)OCO4)C(CCC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C32H30N4O4/c1-2-38-32(37)35-28-19-25-30(36-31(33-25)24-15-16-26-27(18-24)40-20-39-26)29(34-28)23(17-22-11-7-4-8-12-22)14-13-21-9-5-3-6-10-21/h3-12,15-16,18-19,23H,2,13-14,17,20H2,1H3,(H,33,36)(H,34,35,37)
InChIKey
WNFIGVRLJOEBFT-UHFFFAOYSA-N
Compound name
ethyl N-[2-(1,3-benzodioxol-5-yl)-4-(1,4-diphenylbutan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.2267 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.23398 225.9
[M+Na]+ 557.21592 230.3
[M-H]- 533.21942 236.7
[M+NH4]+ 552.26052 227.7
[M+K]+ 573.18986 225.6
[M+H-H2O]+ 517.22396 214.2
[M+HCOO]- 579.22490 239.6
[M+CH3COO]- 593.24055 231.9
[M+Na-2H]- 555.20137 224.7
[M]+ 534.22615 229.7
[M]- 534.22725 229.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.