CID 3049672

Pb 187

Structural Information

Molecular Formula
C17H15N3O6S
SMILES
CC1(CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C17H15N3O6S/c1-17(13-4-2-3-5-14(13)20(23)24)10-15(21)19(16(17)22)11-6-8-12(9-7-11)27(18,25)26/h2-9H,10H2,1H3,(H2,18,25,26)
InChIKey
WAGUIVNTBIYSFB-UHFFFAOYSA-N
Compound name
4-[3-methyl-3-(2-nitrophenyl)-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.06815 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07543 185.6
[M+Na]+ 412.05737 192.5
[M-H]- 388.06087 194.4
[M+NH4]+ 407.10197 197.8
[M+K]+ 428.03131 184.0
[M+H-H2O]+ 372.06541 182.7
[M+HCOO]- 434.06635 202.8
[M+CH3COO]- 448.08200 210.2
[M+Na-2H]- 410.04282 190.2
[M]+ 389.06760 184.8
[M]- 389.06870 184.8
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.