CID 56113

Brn 5631285

Structural Information

Molecular Formula
C18H30N4O4S
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)NCS(=O)(=O)N(C)C)OC
InChI
InChI=1S/C18H30N4O4S/c1-5-22-10-6-7-15(22)12-19-18(23)16-11-14(8-9-17(16)26-4)20-13-27(24,25)21(2)3/h8-9,11,15,20H,5-7,10,12-13H2,1-4H3,(H,19,23)
InChIKey
MOJVXEVFRZBHDK-UHFFFAOYSA-N
Compound name
5-(dimethylsulfamoylmethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1988 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20608 194.1
[M+Na]+ 421.18802 197.1
[M-H]- 397.19152 200.0
[M+NH4]+ 416.23262 205.6
[M+K]+ 437.16196 195.0
[M+H-H2O]+ 381.19606 185.4
[M+HCOO]- 443.19700 210.6
[M+CH3COO]- 457.21265 229.5
[M+Na-2H]- 419.17347 193.0
[M]+ 398.19825 197.8
[M]- 398.19935 197.8
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.