CID 9637996

4-br-2-(2-(4-((phenylsulfonyl)amino)benzoyl)carbohydrazonoyl)ph 4-meo-benzoate

Structural Information

Molecular Formula
C28H22BrN3O6S
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H22BrN3O6S/c1-37-24-14-9-20(10-15-24)28(34)38-26-16-11-22(29)17-21(26)18-30-31-27(33)19-7-12-23(13-8-19)32-39(35,36)25-5-3-2-4-6-25/h2-18,32H,1H3,(H,31,33)/b30-18+
InChIKey
CVSSYDRCDGYFRB-UXHLAJHPSA-N
Compound name
[2-[(E)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-4-bromophenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

607.04126 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.04854 223.0
[M+Na]+ 630.03048 228.4
[M-H]- 606.03398 237.3
[M+NH4]+ 625.07508 228.0
[M+K]+ 646.00442 217.1
[M+H-H2O]+ 590.03852 216.8
[M+HCOO]- 652.03946 239.8
[M+CH3COO]- 666.05511 255.7
[M+Na-2H]- 628.01593 227.5
[M]+ 607.04071 244.9
[M]- 607.04181 244.9
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.