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
1
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]+ 384.15878 188.3
[M+Na]+ 406.14072 192.4
[M-H]- 382.14422 196.2
[M+NH4]+ 401.18532 199.0
[M+K]+ 422.11466 192.9
[M+H-H2O]+ 366.14876 181.2
[M+HCOO]- 428.14970 200.0
[M+CH3COO]- 442.16535 222.8
[M+Na-2H]- 404.12617 189.8
[M]+ 383.15095 191.3
[M]- 383.15205 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