CID 6858570

N-[(e)-naphthalen-1-ylmethylidene]-4h-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C13H10N4
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=N/N3C=NN=C3
InChI
InChI=1S/C13H10N4/c1-2-7-13-11(4-1)5-3-6-12(13)8-16-17-9-14-15-10-17/h1-10H/b16-8+
InChIKey
QYIONCSOLVIVGC-LZYBPNLTSA-N
Compound name
(E)-1-naphthalen-1-yl-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

222.09055 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09783 146.5
[M+Na]+ 245.07977 157.0
[M-H]- 221.08327 152.0
[M+NH4]+ 240.12437 163.8
[M+K]+ 261.05371 152.0
[M+H-H2O]+ 205.08781 136.6
[M+HCOO]- 267.08875 172.0
[M+CH3COO]- 281.10440 160.0
[M+Na-2H]- 243.06522 156.7
[M]+ 222.09000 148.5
[M]- 222.09110 148.5
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.