CID 9639125

4-(2-(2-(((4-cl-ph)sulfonyl)amino)benzoyl)carbohydrazonoyl)ph 2-bromobenzoate

Structural Information

Molecular Formula
C27H19BrClN3O5S
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H19BrClN3O5S/c28-24-7-3-1-5-22(24)27(34)37-20-13-9-18(10-14-20)17-30-31-26(33)23-6-2-4-8-25(23)32-38(35,36)21-15-11-19(29)12-16-21/h1-17,32H,(H,31,33)/b30-17+
InChIKey
ZLPINLZDRGLTPA-OCSSWDANSA-N
Compound name
[4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.99176 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.99904 221.7
[M+Na]+ 633.98098 229.1
[M-H]- 609.98448 236.5
[M+NH4]+ 629.02558 228.0
[M+K]+ 649.95492 215.9
[M+H-H2O]+ 593.98902 217.0
[M+HCOO]- 655.98996 234.8
[M+CH3COO]- 670.00561 254.0
[M+Na-2H]- 631.96643 226.3
[M]+ 610.99121 245.0
[M]- 610.99231 245.0
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.