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 177.4
[M+Na]+ 430.96716 189.7
[M-H]- 406.97066 188.7
[M+NH4]+ 426.01176 192.6
[M+K]+ 446.94110 176.7
[M+H-H2O]+ 390.97520 176.4
[M+HCOO]- 452.97614 192.4
[M+CH3COO]- 466.99179 215.1
[M+Na-2H]- 428.95261 179.0
[M]+ 407.97739 196.8
[M]- 407.97849 196.8
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.