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: 33
Patents: 187.07455 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.08183	138.3
[M+Na]+	210.06377	145.3
[M-H]-	186.06727	141.2
[M+NH4]+	205.10837	155.6
[M+K]+	226.03771	141.8
[M+H-H2O]+	170.07181	130.1
[M+HCOO]-	232.07275	161.2
[M+CH3COO]-	246.08840	178.9
[M+Na-2H]-	208.04922	144.9
[M]+	187.07400	135.3
[M]-	187.07510	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe