CID 9668292

4-(2-(anilinocarbothioyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C24H23N3O3S
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)NC3=CC=CC=C3
InChI
InChI=1S/C24H23N3O3S/c1-2-16-29-21-14-10-19(11-15-21)23(28)30-22-12-8-18(9-13-22)17-25-27-24(31)26-20-6-4-3-5-7-20/h3-15,17H,2,16H2,1H3,(H2,26,27,31)/b25-17+
InChIKey
UJRHEXMDTACHBG-KOEQRZSOSA-N
Compound name
[4-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.14603 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.15331 203.5
[M+Na]+ 456.13525 215.1
[M+NH4]+ 451.17985 209.9
[M+K]+ 472.10919 204.9
[M-H]- 432.13875 210.8
[M+Na-2H]- 454.12070 213.3
[M]+ 433.14548 207.5
[M]- 433.14658 207.5
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.