CID 9658752

4-(2-((4-methoxyanilino)carbothioyl)carbohydrazonoyl)ph 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C24H23N3O5S
SMILES
COC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C24H23N3O5S/c1-29-19-11-7-18(8-12-19)26-24(33)27-25-15-16-4-9-20(10-5-16)32-23(28)17-6-13-21(30-2)22(14-17)31-3/h4-15H,1-3H3,(H2,26,27,33)/b25-15+
InChIKey
OQMXISWVYXYHQT-MFKUBSTISA-N
Compound name
[4-[(E)-[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.13583 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.14311 210.3
[M+Na]+ 488.12505 221.5
[M+NH4]+ 483.16965 215.5
[M+K]+ 504.09899 212.8
[M-H]- 464.12855 216.7
[M+Na-2H]- 486.11050 218.8
[M]+ 465.13528 214.0
[M]- 465.13638 214.0
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.