CID 231832

Nsc28596

Structural Information

Molecular Formula
C11H15BrN2O4S
SMILES
CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCO)Br
InChI
InChI=1S/C11H15BrN2O4S/c1-8(12)11(16)14-9-2-4-10(5-3-9)19(17,18)13-6-7-15/h2-5,8,13,15H,6-7H2,1H3,(H,14,16)
InChIKey
YJMZSJISIZIJJX-UHFFFAOYSA-N
Compound name
2-bromo-N-[4-(2-hydroxyethylsulfamoyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.9936 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00088 160.2
[M+Na]+ 372.98282 168.3
[M-H]- 348.98632 164.4
[M+NH4]+ 368.02742 175.7
[M+K]+ 388.95676 155.8
[M+H-H2O]+ 332.99086 158.2
[M+HCOO]- 394.99180 174.5
[M+CH3COO]- 409.00745 205.9
[M+Na-2H]- 370.96827 164.5
[M]+ 349.99305 179.6
[M]- 349.99415 179.6
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.