CID 3057114

1h-1,2,4-triazole, 5-(p-acetamidophenyl)-3-amino-, hydrate

Structural Information

Molecular Formula
C10H11N5O
SMILES
CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)N
InChI
InChI=1S/C10H11N5O/c1-6(16)12-8-4-2-7(3-5-8)9-13-10(11)15-14-9/h2-5H,1H3,(H,12,16)(H3,11,13,14,15)
InChIKey
IQSSSIISFULBIM-UHFFFAOYSA-N
Compound name
N-[4-(3-amino-1H-1,2,4-triazol-5-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 146.9
[M+Na]+ 240.08558 155.0
[M-H]- 216.08908 148.9
[M+NH4]+ 235.13018 161.7
[M+K]+ 256.05952 150.8
[M+H-H2O]+ 200.09362 138.0
[M+HCOO]- 262.09456 169.0
[M+CH3COO]- 276.11021 188.7
[M+Na-2H]- 238.07103 151.6
[M]+ 217.09581 143.6
[M]- 217.09691 143.6
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.