CID 16460977

3-({1,3-dibenzyl-2-oxo-1h,2h,3h-imidazo[4,5-b]pyridin-5-yl}carbamoyl)propanoic acid

Structural Information

Molecular Formula
C24H22N4O4
SMILES
C1=CC=C(C=C1)CN2C3=C(N=C(C=C3)NC(=O)CCC(=O)O)N(C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H22N4O4/c29-21(13-14-22(30)31)25-20-12-11-19-23(26-20)28(16-18-9-5-2-6-10-18)24(32)27(19)15-17-7-3-1-4-8-17/h1-12H,13-16H2,(H,30,31)(H,25,26,29)
InChIKey
ZCYUXYDYUYVRJM-UHFFFAOYSA-N
Compound name
4-[(1,3-dibenzyl-2-oxoimidazo[4,5-b]pyridin-5-yl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.1641 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.171376 201.9
[M+Na]+ 453.153318 209.0
[M-H]- 429.156824 208.1
[M+NH4]+ 448.197923 208.5
[M+K]+ 469.127258 202.4
[M+H-H2O]+ 413.161360 190.3
[M+HCOO]- 475.162301 220.6
[M+CH3COO]- 489.177951 227.9
[M+Na-2H]- 451.138766 203.8
[M]+ 430.16355142 205.2
[M]- 430.16464858 205.2
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.