CID 129318352

2214214-03-4

Structural Information

Molecular Formula
C15H23N3O5S
SMILES
CC[N+]1(CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC)[O-]
InChI
InChI=1S/C15H23N3O5S/c1-3-18(20)8-4-5-11(18)10-17-15(19)13-9-12(24(16,21)22)6-7-14(13)23-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,21,22)
InChIKey
GODSKNGSDVZJGQ-UHFFFAOYSA-N
Compound name
N-[(1-ethyl-1-oxidopyrrolidin-1-ium-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13583 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14311 176.7
[M+Na]+ 380.12505 184.5
[M+NH4]+ 375.16965 182.9
[M+K]+ 396.09899 181.6
[M-H]- 356.12855 178.1
[M+Na-2H]- 378.11050 180.9
[M]+ 357.13528 178.3
[M]- 357.13638 178.3
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.