CID 9650757

4-(2-(2-(((4-cl-ph)sulfonyl)amino)benzoyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C31H22ClN3O5S
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=C(C=C3)/C=N/NC(=O)C4=CC=CC=C4NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C31H22ClN3O5S/c32-23-14-18-25(19-15-23)41(38,39)35-29-11-4-3-9-28(29)30(36)34-33-20-21-12-16-24(17-13-21)40-31(37)27-10-5-7-22-6-1-2-8-26(22)27/h1-20,35H,(H,34,36)/b33-20+
InChIKey
AFUIDHWLGMZGLG-FMFFXOCNSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.09686 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.10414 234.8
[M+Na]+ 606.08608 239.5
[M-H]- 582.08958 248.1
[M+NH4]+ 601.13068 238.5
[M+K]+ 622.06002 233.3
[M+H-H2O]+ 566.09412 223.2
[M+HCOO]- 628.09506 248.4
[M+CH3COO]- 642.11071 258.2
[M+Na-2H]- 604.07153 239.7
[M]+ 583.09631 240.5
[M]- 583.09741 240.5
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.