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 149.2
[M+Na]+ 255.08524 158.7
[M-H]- 231.08874 153.9
[M+NH4]+ 250.12984 165.3
[M+K]+ 271.05918 156.5
[M+H-H2O]+ 215.09328 139.5
[M+HCOO]- 277.09422 174.6
[M+CH3COO]- 291.10987 193.4
[M+Na-2H]- 253.07069 155.8
[M]+ 232.09547 153.5
[M]- 232.09657 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.