CID 5402611

59670-49-4

Structural Information

Molecular Formula
C11H12N4O2
SMILES
COC1=C(C=C(C=C1)/C=N\N2C=NN=C2)OC
InChI
InChI=1S/C11H12N4O2/c1-16-10-4-3-9(5-11(10)17-2)6-14-15-7-12-13-8-15/h3-8H,1-2H3/b14-6-
InChIKey
DKPICALCFHAXGE-NSIKDUERSA-N
Compound name
(Z)-1-(3,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 150.7
[M+Na]+ 255.08524 163.6
[M+NH4]+ 250.12984 157.3
[M+K]+ 271.05918 159.2
[M-H]- 231.08874 152.9
[M+Na-2H]- 253.07069 158.7
[M]+ 232.09547 152.9
[M]- 232.09657 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.