CID 207604

30279-46-0

Structural Information

Molecular Formula
C16H13BrN2O4S
SMILES
C1C(C(=O)N(C1=O)C2=C(C=C(C=C2)S(=O)(=O)N)Br)C3=CC=CC=C3
InChI
InChI=1S/C16H13BrN2O4S/c17-13-8-11(24(18,22)23)6-7-14(13)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2,(H2,18,22,23)
InChIKey
XMEBWVAZTGGVTB-UHFFFAOYSA-N
Compound name
3-bromo-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.97794 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.98522 175.0
[M+Na]+ 430.96716 177.4
[M+NH4]+ 426.01176 177.7
[M+K]+ 446.94110 178.5
[M-H]- 406.97066 176.8
[M+Na-2H]- 428.95261 178.4
[M]+ 407.97739 174.9
[M]- 407.97849 174.9
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.