CID 9644040

(4-(2-(2-(((4-cl-ph)sulfonyl)amino)benzoyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C22H18ClN3O6S
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18ClN3O6S/c23-16-7-11-18(12-8-16)33(30,31)26-20-4-2-1-3-19(20)22(29)25-24-13-15-5-9-17(10-6-15)32-14-21(27)28/h1-13,26H,14H2,(H,25,29)(H,27,28)/b24-13+
InChIKey
POKRJLKINPEJGE-ZMOGYAJESA-N
Compound name
2-[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.0605 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.06778 208.8
[M+Na]+ 510.04972 213.6
[M-H]- 486.05322 218.2
[M+NH4]+ 505.09432 215.4
[M+K]+ 526.02366 208.3
[M+H-H2O]+ 470.05776 199.5
[M+HCOO]- 532.05870 223.6
[M+CH3COO]- 546.07435 238.0
[M+Na-2H]- 508.03517 212.3
[M]+ 487.05995 214.7
[M]- 487.06105 214.7
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.