CID 9622942

4-bromo-2-{(e)-[(2-{[(4-chlorophenyl)sulfonyl]amino}benzoyl)hydrazono]methyl}phenyl (2e)-3-phenyl-2-propenoate

Structural Information

Molecular Formula
C29H21BrClN3O5S
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H21BrClN3O5S/c30-22-11-16-27(39-28(35)17-10-20-6-2-1-3-7-20)21(18-22)19-32-33-29(36)25-8-4-5-9-26(25)34-40(37,38)24-14-12-23(31)13-15-24/h1-19,34H,(H,33,36)/b17-10+,32-19+
InChIKey
NQKKRWKBPFMEDU-COBXIUJNSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

637.0074 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.01468 229.5
[M+Na]+ 659.99662 236.4
[M-H]- 636.00012 243.9
[M+NH4]+ 655.04122 234.7
[M+K]+ 675.97056 222.3
[M+H-H2O]+ 620.00466 224.4
[M+HCOO]- 682.00560 242.1
[M+CH3COO]- 696.02125 258.0
[M+Na-2H]- 657.98207 233.1
[M]+ 637.00685 252.6
[M]- 637.00795 252.6
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.