CID 9607510

4-bromo-2-(2-((4-methylphenyl)sulfonyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C21H16BrClN2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H16BrClN2O4S/c1-14-6-9-17(10-7-14)30(27,28)25-24-13-15-12-16(22)8-11-20(15)29-21(26)18-4-2-3-5-19(18)23/h2-13,25H,1H3/b24-13+
InChIKey
DTEDZBZSODHLAL-ZMOGYAJESA-N
Compound name
[4-bromo-2-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.97028 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.97756 192.3
[M+Na]+ 528.95950 197.1
[M+NH4]+ 524.00410 195.5
[M+K]+ 544.93344 194.3
[M-H]- 504.96300 196.4
[M+Na-2H]- 526.94495 199.0
[M]+ 505.96973 193.7
[M]- 505.97083 193.7
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.