CID 5270511

Nsc97165

Structural Information

Molecular Formula
C9H9ClN4O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC=N2)Cl
InChI
InChI=1S/C9H9ClN4O2/c1-2-16-9(15)14-6-3-5-7(8(10)13-6)12-4-11-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14,15)
InChIKey
DJHNEOBVNHVENY-UHFFFAOYSA-N
Compound name
ethyl N-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.0414 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04868 148.2
[M+Na]+ 263.03062 159.2
[M-H]- 239.03412 148.2
[M+NH4]+ 258.07522 164.8
[M+K]+ 279.00456 154.4
[M+H-H2O]+ 223.03866 140.8
[M+HCOO]- 285.03960 165.4
[M+CH3COO]- 299.05525 187.9
[M+Na-2H]- 261.01607 154.9
[M]+ 240.04085 152.0
[M]- 240.04195 152.0
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

patents stripe