CID 207605

30279-48-2

Structural Information

Molecular Formula
C13H15BrN2O4S
SMILES
CCC1(CC(=O)N(C1=O)C2=C(C=C(C=C2)S(=O)(=O)N)Br)C
InChI
InChI=1S/C13H15BrN2O4S/c1-3-13(2)7-11(17)16(12(13)18)10-5-4-8(6-9(10)14)21(15,19)20/h4-6H,3,7H2,1-2H3,(H2,15,19,20)
InChIKey
IADMUAWQVCLIEJ-UHFFFAOYSA-N
Compound name
3-bromo-4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9936 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00088 164.4
[M+Na]+ 396.98282 177.6
[M-H]- 372.98632 172.7
[M+NH4]+ 392.02742 183.3
[M+K]+ 412.95676 165.1
[M+H-H2O]+ 356.99086 165.1
[M+HCOO]- 418.99180 178.9
[M+CH3COO]- 433.00745 210.0
[M+Na-2H]- 394.96827 167.2
[M]+ 373.99305 185.6
[M]- 373.99415 185.6
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.