CID 3049674

Pb 174

Structural Information

Molecular Formula
C18H18N2O5S
SMILES
CC1(CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3OC
InChI
InChI=1S/C18H18N2O5S/c1-18(14-5-3-4-6-15(14)25-2)11-16(21)20(17(18)22)12-7-9-13(10-8-12)26(19,23)24/h3-10H,11H2,1-2H3,(H2,19,23,24)
InChIKey
IOJMOGHTPWVJIP-UHFFFAOYSA-N
Compound name
4-[3-(2-methoxyphenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09363 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10091 184.6
[M+Na]+ 397.08285 195.5
[M+NH4]+ 392.12745 191.2
[M+K]+ 413.05679 189.0
[M-H]- 373.08635 187.5
[M+Na-2H]- 395.06830 192.0
[M]+ 374.09308 187.3
[M]- 374.09418 187.3
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.