CID 9623364

4-br-2-(2-(((phenylsulfonyl)amino)ac)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H20BrN3O6S
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H20BrN3O6S/c1-32-19-10-7-16(8-11-19)23(29)33-21-12-9-18(24)13-17(21)14-25-27-22(28)15-26-34(30,31)20-5-3-2-4-6-20/h2-14,26H,15H2,1H3,(H,27,28)/b25-14+
InChIKey
VNMDRFDAGUWTNZ-AFUMVMLFSA-N
Compound name
[2-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-4-bromophenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.02563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.03291 199.5
[M+Na]+ 568.01485 200.5
[M+NH4]+ 563.05945 200.3
[M+K]+ 583.98879 200.2
[M-H]- 544.01835 202.3
[M+Na-2H]- 566.00030 204.9
[M]+ 545.02508 199.4
[M]- 545.02618 199.4
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.