CID 387233

Nsc680808

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

C1=CC=C(C=C1)N2C=NC(=N2)CC(=O)N

InChI

InChI=1S/C10H10N4O/c11-9(15)6-10-12-7-14(13-10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,15)

InChIKey

OENPFJGNWIQYEE-UHFFFAOYSA-N

Compound name

2-(1-phenyl-1,2,4-triazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.08546 Da
Monoisotopic Mass: 0.5
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]+	203.09274	142.6
[M+Na]+	225.07468	150.9
[M-H]-	201.07818	145.3
[M+NH4]+	220.11928	158.6
[M+K]+	241.04862	147.7
[M+H-H2O]+	185.08272	133.4
[M+HCOO]-	247.08366	165.0
[M+CH3COO]-	261.09931	185.5
[M+Na-2H]-	223.06013	147.8
[M]+	202.08491	141.4
[M]-	202.08601	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe