CID 457288

N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC=C2C(=C1)C=CC=C2CNN3C=NN=C3
InChI
InChI=1S/C13H12N4/c1-2-7-13-11(4-1)5-3-6-12(13)8-16-17-9-14-15-10-17/h1-7,9-10,16H,8H2
InChIKey
YLXSQBNWRNCKSA-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

224.1062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.113476 146.9
[M+Na]+ 247.095418 156.5
[M-H]- 223.098924 151.0
[M+NH4]+ 242.140023 163.4
[M+K]+ 263.069358 151.2
[M+H-H2O]+ 207.103460 137.2
[M+HCOO]- 269.104401 170.7
[M+CH3COO]- 283.120051 159.6
[M+Na-2H]- 245.080866 156.7
[M]+ 224.10565142 147.8
[M]- 224.10674858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.