CID 16788251

N-(4-aminophenyl)-2-(1h-1,2,4-triazol-1-yl)propanamide

Structural Information

Molecular Formula
C11H13N5O
SMILES
CC(C(=O)NC1=CC=C(C=C1)N)N2C=NC=N2
InChI
InChI=1S/C11H13N5O/c1-8(16-7-13-6-14-16)11(17)15-10-4-2-9(12)3-5-10/h2-8H,12H2,1H3,(H,15,17)
InChIKey
JIILXZLKCRZMIC-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-2-(1,2,4-triazol-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.11201 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11929 150.9
[M+Na]+ 254.10123 157.6
[M-H]- 230.10473 153.7
[M+NH4]+ 249.14583 165.3
[M+K]+ 270.07517 154.7
[M+H-H2O]+ 214.10927 141.3
[M+HCOO]- 276.11021 173.0
[M+CH3COO]- 290.12586 193.8
[M+Na-2H]- 252.08668 155.1
[M]+ 231.11146 148.7
[M]- 231.11256 148.7
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.