CID 47003238

2-amino-n-[4-(1h-1,2,4-triazol-1-yl)phenyl]acetamide dihydrochloride

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1=CC(=CC=C1NC(=O)CN)N2C=NC=N2
InChI
InChI=1S/C10H11N5O/c11-5-10(16)14-8-1-3-9(4-2-8)15-7-12-6-13-15/h1-4,6-7H,5,11H2,(H,14,16)
InChIKey
CLPPOQUQLJHMBZ-UHFFFAOYSA-N
Compound name
2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 145.8
[M+Na]+ 240.08558 153.2
[M-H]- 216.08908 148.6
[M+NH4]+ 235.13018 160.8
[M+K]+ 256.05952 150.0
[M+H-H2O]+ 200.09362 136.2
[M+HCOO]- 262.09456 169.3
[M+CH3COO]- 276.11021 189.9
[M+Na-2H]- 238.07103 151.7
[M]+ 217.09581 143.8
[M]- 217.09691 143.8
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.