CID 58860

101756-41-6

Structural Information

Molecular Formula
C12H12N4O3
SMILES
COC1=CC(=CC(=C1OC)OC)NN=C(C#N)C#N
InChI
InChI=1S/C12H12N4O3/c1-17-10-4-8(15-16-9(6-13)7-14)5-11(18-2)12(10)19-3/h4-5,15H,1-3H3
InChIKey
SZLZINHKPROFHT-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxyphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09094 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.098216 164.5
[M+Na]+ 283.080158 173.1
[M-H]- 259.083664 168.5
[M+NH4]+ 278.124763 175.4
[M+K]+ 299.054098 172.0
[M+H-H2O]+ 243.088200 148.4
[M+HCOO]- 305.089141 178.9
[M+CH3COO]- 319.104791 229.1
[M+Na-2H]- 281.065606 165.7
[M]+ 260.09039142 159.2
[M]- 260.09148858 159.2
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.