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 146.5
[M+Na]+ 240.08558 157.1
[M+NH4]+ 235.13018 152.7
[M+K]+ 256.05952 154.1
[M-H]- 216.08908 148.5
[M+Na-2H]- 238.07103 153.8
[M]+ 217.09581 148.1
[M]- 217.09691 148.1
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.