CID 9637511

769149-91-9

Structural Information

Molecular Formula
C22H19BrN2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H19BrN2O5S/c1-15-3-10-20(11-4-15)31(27,28)25-24-14-17-13-18(23)7-12-21(17)30-22(26)16-5-8-19(29-2)9-6-16/h3-14,25H,1-2H3/b24-14+
InChIKey
HIJSKYITEZHEOR-ZVHZXABRSA-N
Compound name
[4-bromo-2-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.0198 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.02708 199.2
[M+Na]+ 525.00902 208.2
[M-H]- 501.01252 211.9
[M+NH4]+ 520.05362 209.9
[M+K]+ 540.98296 196.1
[M+H-H2O]+ 485.01706 195.0
[M+HCOO]- 547.01800 216.9
[M+CH3COO]- 561.03365 236.6
[M+Na-2H]- 522.99447 203.7
[M]+ 502.01925 223.1
[M]- 502.02035 223.1
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.