CID 5347550

3,5-dimethyl-n-(3-methylbenzylidene)-4h-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C12H14N4
SMILES
CC1=CC(=CC=C1)/C=N/N2C(=NN=C2C)C
InChI
InChI=1S/C12H14N4/c1-9-5-4-6-12(7-9)8-13-16-10(2)14-15-11(16)3/h4-8H,1-3H3/b13-8+
InChIKey
SWHDFEXAOKTZNV-MDWZMJQESA-N
Compound name
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-methylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

214.12184 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.129116 148.3
[M+Na]+ 237.111058 158.6
[M-H]- 213.114564 153.2
[M+NH4]+ 232.155663 165.7
[M+K]+ 253.084998 155.0
[M+H-H2O]+ 197.119100 139.0
[M+HCOO]- 259.120041 172.9
[M+CH3COO]- 273.135691 193.4
[M+Na-2H]- 235.096506 153.5
[M]+ 214.12129142 150.6
[M]- 214.12238858 150.6
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.