CID 9688460

2-meo-4-(2-((((4-me-ph)sulfonyl)amino)acetyl)carbohydrazonoyl)ph 3-bromobenzoate

Structural Information

Molecular Formula
C24H22BrN3O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C24H22BrN3O6S/c1-16-6-9-20(10-7-16)35(31,32)27-15-23(29)28-26-14-17-8-11-21(22(12-17)33-2)34-24(30)18-4-3-5-19(25)13-18/h3-14,27H,15H2,1-2H3,(H,28,29)/b26-14+
InChIKey
POUKMIWLFRSPHZ-VULFUBBASA-N
Compound name
[2-methoxy-4-[(E)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.04126 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.04854 210.8
[M+Na]+ 582.03048 217.2
[M-H]- 558.03398 222.7
[M+NH4]+ 577.07508 218.4
[M+K]+ 598.00442 205.5
[M+H-H2O]+ 542.03852 205.3
[M+HCOO]- 604.03946 227.8
[M+CH3COO]- 618.05511 248.6
[M+Na-2H]- 580.01593 214.7
[M]+ 559.04071 234.3
[M]- 559.04181 234.3
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.