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]+ 265.048676 156.2
[M+Na]+ 287.030618 164.2
[M-H]- 263.034124 159.2
[M+NH4]+ 282.075223 171.0
[M+K]+ 303.004558 158.9
[M+H-H2O]+ 247.038660 148.4
[M+HCOO]- 309.039601 173.9
[M+CH3COO]- 323.055251 194.9
[M+Na-2H]- 285.016066 158.6
[M]+ 264.04085142 154.8
[M]- 264.04194858 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.