CID 16379973

N,5-dimethyl-2-phenyl-2h-1,2,3-triazole-4-carboxamide

Structural Information

Molecular Formula

C₁₁H₁₂N₄O

SMILES

CC1=NN(N=C1C(=O)NC)C2=CC=CC=C2

InChI

InChI=1S/C11H12N4O/c1-8-10(11(16)12-2)14-15(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,16)

InChIKey

QKUDHKCFODBAOC-UHFFFAOYSA-N

Compound name

N,5-dimethyl-2-phenyltriazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 216.1011 Da
Monoisotopic Mass: 1.9
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]+	217.108376	147.4
[M+Na]+	239.090318	156.3
[M-H]-	215.093824	150.9
[M+NH4]+	234.134923	163.5
[M+K]+	255.064258	153.2
[M+H-H2O]+	199.098360	138.3
[M+HCOO]-	261.099301	170.1
[M+CH3COO]-	275.114951	189.6
[M+Na-2H]-	237.075766	152.4
[M]+	216.10055142	147.9
[M]-	216.10164858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe