CID 3071842

139109-15-2

Structural Information

Molecular Formula
C11H9ClN4O2
SMILES
C1=CC(=CC=C1C(=O)NC2=C(NC=N2)C(=O)N)Cl
InChI
InChI=1S/C11H9ClN4O2/c12-7-3-1-6(2-4-7)11(18)16-10-8(9(13)17)14-5-15-10/h1-5H,(H2,13,17)(H,14,15)(H,16,18)
InChIKey
CFHPBSGPHLHEIA-UHFFFAOYSA-N
Compound name
4-[(4-chlorobenzoyl)amino]-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0414 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04868 156.2
[M+Na]+ 287.03062 164.2
[M-H]- 263.03412 159.2
[M+NH4]+ 282.07522 171.0
[M+K]+ 303.00456 158.9
[M+H-H2O]+ 247.03866 148.4
[M+HCOO]- 309.03960 173.9
[M+CH3COO]- 323.05525 194.9
[M+Na-2H]- 285.01607 158.6
[M]+ 264.04085 154.8
[M]- 264.04195 154.8
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.