CID 3980164

Chembl298546

Structural Information

Molecular Formula
C22H21N5O2
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)NC(C3=CC=CC=C3)C4=CC=CC=C4)NC=N2
InChI
InChI=1S/C22H21N5O2/c1-2-29-22(28)27-18-13-17(20-21(26-18)24-14-23-20)25-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3,(H3,23,24,25,26,27,28)
InChIKey
VYIJVQXSEXGOBY-UHFFFAOYSA-N
Compound name
ethyl N-[7-(benzhydrylamino)-1H-imidazo[4,5-b]pyridin-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

387.16953 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17681 188.6
[M+Na]+ 410.15875 194.1
[M-H]- 386.16225 194.4
[M+NH4]+ 405.20335 196.6
[M+K]+ 426.13269 187.6
[M+H-H2O]+ 370.16679 177.1
[M+HCOO]- 432.16773 208.6
[M+CH3COO]- 446.18338 196.9
[M+Na-2H]- 408.14420 194.0
[M]+ 387.16898 188.7
[M]- 387.17008 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe