CID 21149675

Brn 5630005

Structural Information

Molecular Formula
C16H26N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)N(C)S(=O)(=O)N)OC
InChI
InChI=1S/C16H26N4O4S/c1-4-20-9-5-6-13(20)11-18-16(21)14-10-12(7-8-15(14)24-3)19(2)25(17,22)23/h7-8,10,13H,4-6,9,11H2,1-3H3,(H,18,21)(H2,17,22,23)
InChIKey
GQEDRSCSJWFRQH-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-[methyl(sulfamoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.16748 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17476 185.4
[M+Na]+ 393.15670 190.5
[M+NH4]+ 388.20130 189.5
[M+K]+ 409.13064 188.0
[M-H]- 369.16020 186.6
[M+Na-2H]- 391.14215 187.9
[M]+ 370.16693 186.3
[M]- 370.16803 186.3
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

No patent data available for this compound.