CID 45054985

4-(2-((4-chlorophenyl)sulfonyl)carbohydrazonoyl)phenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C24H23ClN2O5S
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H23ClN2O5S/c1-2-3-16-31-21-12-6-19(7-13-21)24(28)32-22-10-4-18(5-11-22)17-26-27-33(29,30)23-14-8-20(25)9-15-23/h4-15,17,27H,2-3,16H2,1H3/b26-17+
InChIKey
ORCNLAIHXCZOLX-YZSQISJMSA-N
Compound name
[4-[(E)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.10162 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.10890 213.6
[M+Na]+ 509.09084 226.6
[M+NH4]+ 504.13544 219.2
[M+K]+ 525.06478 216.6
[M-H]- 485.09434 219.1
[M+Na-2H]- 507.07629 222.7
[M]+ 486.10107 217.7
[M]- 486.10217 217.7
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.