CID 5277694

Ethyl n-[4-(benzhydrylamino)-1h-imidazo[4,5-c]pyridin-6-yl]carbamate

Structural Information

Molecular Formula
C22H21N5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC=N2)NC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H21N5O2/c1-2-29-22(28)26-18-13-17-20(24-14-23-17)21(25-18)27-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,2H2,1H3,(H,23,24)(H2,25,26,27,28)
InChIKey
QCRSINRZNPQACN-UHFFFAOYSA-N
Compound name
ethyl N-[4-(benzhydrylamino)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.