CID 130282

124842-93-9

Structural Information

Molecular Formula
C19H29N3O4S
SMILES
CCCCN1CCCC1CNC(=O)C2=CC(=CC3=C2OC(C3)C)S(=O)(=O)N
InChI
InChI=1S/C19H29N3O4S/c1-3-4-7-22-8-5-6-15(22)12-21-19(23)17-11-16(27(20,24)25)10-14-9-13(2)26-18(14)17/h10-11,13,15H,3-9,12H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKey
ITVVMWXAZTUXIL-UHFFFAOYSA-N
Compound name
N-[(1-butylpyrrolidin-2-yl)methyl]-2-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

395.18787 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19515 195.1
[M+Na]+ 418.17709 200.0
[M-H]- 394.18059 201.2
[M+NH4]+ 413.22169 208.2
[M+K]+ 434.15103 197.2
[M+H-H2O]+ 378.18513 189.2
[M+HCOO]- 440.18607 207.9
[M+CH3COO]- 454.20172 223.2
[M+Na-2H]- 416.16254 192.5
[M]+ 395.18732 197.5
[M]- 395.18842 197.5
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