CID 457289

(naphthylmethyl)-1,2,4-triazolylamine

Structural Information

Molecular Formula
C13H12N4
SMILES
C1=CC=C2C(=C1)C=CC=C2CNN3C=NC=N3
InChI
InChI=1S/C13H12N4/c1-2-7-13-11(4-1)5-3-6-12(13)8-15-17-10-14-9-16-17/h1-7,9-10,15H,8H2
InChIKey
RCSBWNLBNNTOHP-UHFFFAOYSA-N
Compound name
N-(naphthalen-1-ylmethyl)-1,2,4-triazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.1062 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 146.9
[M+Na]+ 247.09542 156.5
[M-H]- 223.09892 151.0
[M+NH4]+ 242.14002 163.4
[M+K]+ 263.06936 151.2
[M+H-H2O]+ 207.10346 137.2
[M+HCOO]- 269.10440 170.7
[M+CH3COO]- 283.12005 159.6
[M+Na-2H]- 245.08087 156.7
[M]+ 224.10565 147.8
[M]- 224.10675 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.