CID 6455319

66410-51-3

Structural Information

Molecular Formula
C17H25N3O5S
SMILES
CN1CCCC1CNC(=O)C2=C3C(=CC(=C2)S(=O)(=O)N(C)C)OCCO3
InChI
InChI=1S/C17H25N3O5S/c1-19(2)26(22,23)13-9-14(16-15(10-13)24-7-8-25-16)17(21)18-11-12-5-4-6-20(12)3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21)
InChIKey
JTKAQKREMDVCLQ-UHFFFAOYSA-N
Compound name
7-(dimethylsulfamoyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

383.1515 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.158776 188.3
[M+Na]+ 406.140718 192.4
[M-H]- 382.144224 196.2
[M+NH4]+ 401.185323 199.0
[M+K]+ 422.114658 192.9
[M+H-H2O]+ 366.148760 181.2
[M+HCOO]- 428.149701 200.0
[M+CH3COO]- 442.165351 222.8
[M+Na-2H]- 404.126166 189.8
[M]+ 383.15095142 191.3
[M]- 383.15204858 191.3
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

patents stripe