CID 5347710

3,5-dimethyl-n-(2,4,6-trimethoxybenzylidene)-4h-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C14H18N4O3
SMILES
CC1=NN=C(N1/N=C/C2=C(C=C(C=C2OC)OC)OC)C
InChI
InChI=1S/C14H18N4O3/c1-9-16-17-10(2)18(9)15-8-12-13(20-4)6-11(19-3)7-14(12)21-5/h6-8H,1-5H3/b15-8+
InChIKey
RYWAOOATKNOZOU-OVCLIPMQSA-N
Compound name
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(2,4,6-trimethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

290.13788 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14516 166.3
[M+Na]+ 313.12710 177.0
[M-H]- 289.13060 171.7
[M+NH4]+ 308.17170 180.8
[M+K]+ 329.10104 174.6
[M+H-H2O]+ 273.13514 156.8
[M+HCOO]- 335.13608 190.7
[M+CH3COO]- 349.15173 208.1
[M+Na-2H]- 311.11255 169.1
[M]+ 290.13733 174.2
[M]- 290.13843 174.2
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.