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 167.8
[M+Na]+ 313.12710 180.7
[M+NH4]+ 308.17170 173.4
[M+K]+ 329.10104 176.8
[M-H]- 289.13060 169.7
[M+Na-2H]- 311.11255 173.8
[M]+ 290.13733 170.0
[M]- 290.13843 170.0
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.