CID 45054746

2-(2-(4-((phenylsulfonyl)amino)benzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C27H20ClN3O5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H20ClN3O5S/c28-22-14-10-20(11-15-22)27(33)36-25-9-5-4-6-21(25)18-29-30-26(32)19-12-16-23(17-13-19)31-37(34,35)24-7-2-1-3-8-24/h1-18,31H,(H,30,32)/b29-18+
InChIKey
KRAORMPYZLTSIV-RDRPBHBLSA-N
Compound name
[2-[(E)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.08124 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.08852 223.9
[M+Na]+ 556.07046 228.6
[M-H]- 532.07396 237.0
[M+NH4]+ 551.11506 228.8
[M+K]+ 572.04440 222.4
[M+H-H2O]+ 516.07850 212.8
[M+HCOO]- 578.07944 239.4
[M+CH3COO]- 592.09509 247.7
[M+Na-2H]- 554.05591 227.6
[M]+ 533.08069 229.1
[M]- 533.08179 229.1
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.