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 185.7
[M+Na]+ 393.15670 189.7
[M-H]- 369.16020 191.6
[M+NH4]+ 388.20130 198.2
[M+K]+ 409.13064 187.6
[M+H-H2O]+ 353.16474 177.5
[M+HCOO]- 415.16568 202.4
[M+CH3COO]- 429.18133 223.1
[M+Na-2H]- 391.14215 184.5
[M]+ 370.16693 187.8
[M]- 370.16803 187.8
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.