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]+ 233.103296 149.2
[M+Na]+ 255.085238 158.7
[M-H]- 231.088744 153.9
[M+NH4]+ 250.129843 165.3
[M+K]+ 271.059178 156.5
[M+H-H2O]+ 215.093280 139.5
[M+HCOO]- 277.094221 174.6
[M+CH3COO]- 291.109871 193.4
[M+Na-2H]- 253.070686 155.8
[M]+ 232.09547142 153.5
[M]- 232.09656858 153.5
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.