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 150.8
[M+Na]+ 254.10123 160.9
[M+NH4]+ 249.14583 156.7
[M+K]+ 270.07517 158.5
[M-H]- 230.10473 152.6
[M+Na-2H]- 252.08668 157.5
[M]+ 231.11146 152.3
[M]- 231.11256 152.3
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.