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]+ 325.15804 174.7
[M+Na]+ 347.13998 180.4
[M-H]- 323.14348 180.2
[M+NH4]+ 342.18458 190.6
[M+K]+ 363.11392 176.6
[M+H-H2O]+ 307.14802 167.9
[M+HCOO]- 369.14896 187.4
[M+CH3COO]- 383.16461 206.8
[M+Na-2H]- 345.12543 175.6
[M]+ 324.15021 174.4
[M]- 324.15131 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.