CID 9645291

4-(2-((((4-cl-ph)sulfonyl)amino)ac)carbohydrazonoyl)-2-meo-ph 3-bromobenzoate

Structural Information

Molecular Formula
C23H19BrClN3O6S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C23H19BrClN3O6S/c1-33-21-11-15(5-10-20(21)34-23(30)16-3-2-4-17(24)12-16)13-26-28-22(29)14-27-35(31,32)19-8-6-18(25)7-9-19/h2-13,27H,14H2,1H3,(H,28,29)/b26-13+
InChIKey
QFYILAOAKZVAKS-LGJNPRDNSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.98663 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.99391 211.2
[M+Na]+ 601.97585 219.0
[M-H]- 577.97935 223.6
[M+NH4]+ 597.02045 219.2
[M+K]+ 617.94979 206.1
[M+H-H2O]+ 561.98389 207.0
[M+HCOO]- 623.98483 224.6
[M+CH3COO]- 638.00048 248.9
[M+Na-2H]- 599.96130 215.5
[M]+ 578.98608 236.9
[M]- 578.98718 236.9
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.