CID 128772

67381-53-7

Structural Information

Molecular Formula
C15H21N3O5S
SMILES
CCN1C(CCC1=O)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C15H21N3O5S/c1-3-18-10(4-7-14(18)19)9-17-15(20)12-8-11(24(16,21)22)5-6-13(12)23-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,20)(H2,16,21,22)
InChIKey
VTTYWZFJMMRQGP-UHFFFAOYSA-N
Compound name
N-[(1-ethyl-5-oxopyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

355.12018 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12746 181.5
[M+Na]+ 378.10940 187.8
[M+NH4]+ 373.15400 185.2
[M+K]+ 394.08334 185.2
[M-H]- 354.11290 181.5
[M+Na-2H]- 376.09485 183.2
[M]+ 355.11963 182.2
[M]- 355.12073 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe