CID 44770

63784-88-3

Structural Information

Molecular Formula
C16H24N2O3S
SMILES
CNS(=O)(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C16H24N2O3S/c1-17-22(19,20)15-9-8-14(21-2)12-6-5-7-13(16(12)15)18-10-3-4-11-18/h8-9,13,17H,3-7,10-11H2,1-2H3
InChIKey
HSSZUNAHGRTMGJ-UHFFFAOYSA-N
Compound name
4-methoxy-N-methyl-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15076 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.158036 174.7
[M+Na]+ 347.139978 180.4
[M-H]- 323.143484 180.2
[M+NH4]+ 342.184583 190.6
[M+K]+ 363.113918 176.6
[M+H-H2O]+ 307.148020 167.9
[M+HCOO]- 369.148961 187.4
[M+CH3COO]- 383.164611 206.8
[M+Na-2H]- 345.125426 175.6
[M]+ 324.15021142 174.4
[M]- 324.15130858 174.4
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.