CID 312385

13189-13-4

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C(C=C1)NC(=O)C2=CN=CN2
InChI
InChI=1S/C10H9N3O/c14-10(9-6-11-7-12-9)13-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)
InChIKey
HYPSKNLBXKFNBB-UHFFFAOYSA-N
Compound name
N-phenyl-1H-imidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

47
Patents

187.07455 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.081826 138.3
[M+Na]+ 210.063768 145.3
[M-H]- 186.067274 141.2
[M+NH4]+ 205.108373 155.6
[M+K]+ 226.037708 141.8
[M+H-H2O]+ 170.071810 130.1
[M+HCOO]- 232.072751 161.2
[M+CH3COO]- 246.088401 178.9
[M+Na-2H]- 208.049216 144.9
[M]+ 187.07400142 135.3
[M]- 187.07509858 135.3
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