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]+ 261.09822 164.5
[M+Na]+ 283.08016 173.1
[M-H]- 259.08366 168.5
[M+NH4]+ 278.12476 175.4
[M+K]+ 299.05410 172.0
[M+H-H2O]+ 243.08820 148.4
[M+HCOO]- 305.08914 178.9
[M+CH3COO]- 319.10479 229.1
[M+Na-2H]- 281.06561 165.7
[M]+ 260.09039 159.2
[M]- 260.09149 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.