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]+ 215.12912 148.3
[M+Na]+ 237.11106 158.6
[M-H]- 213.11456 153.2
[M+NH4]+ 232.15566 165.7
[M+K]+ 253.08500 155.0
[M+H-H2O]+ 197.11910 139.0
[M+HCOO]- 259.12004 172.9
[M+CH3COO]- 273.13569 193.4
[M+Na-2H]- 235.09651 153.5
[M]+ 214.12129 150.6
[M]- 214.12239 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.