CID 9687666

2-meo-4-(2-(4-((ph-sulfonyl)amino)benzoyl)carbohydrazonoyl)ph 2-chlorobenzoate

Structural Information

Molecular Formula
C28H22ClN3O6S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C28H22ClN3O6S/c1-37-26-17-19(11-16-25(26)38-28(34)23-9-5-6-10-24(23)29)18-30-31-27(33)20-12-14-21(15-13-20)32-39(35,36)22-7-3-2-4-8-22/h2-18,32H,1H3,(H,31,33)/b30-18+
InChIKey
GEMUOVYADYOPIO-UXHLAJHPSA-N
Compound name
[4-[(E)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.0918 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.09908 230.8
[M+Na]+ 586.08102 235.3
[M-H]- 562.08452 244.0
[M+NH4]+ 581.12562 234.6
[M+K]+ 602.05496 230.1
[M+H-H2O]+ 546.08906 219.4
[M+HCOO]- 608.09000 246.0
[M+CH3COO]- 622.10565 254.0
[M+Na-2H]- 584.06647 233.8
[M]+ 563.09125 238.0
[M]- 563.09235 238.0
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.