CID 44723

63766-14-3

Structural Information

Molecular Formula
C17H26N2O3S
SMILES
CN(C)S(=O)(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C17H26N2O3S/c1-18(2)23(20,21)16-10-9-15(22-3)13-7-6-8-14(17(13)16)19-11-4-5-12-19/h9-10,14H,4-8,11-12H2,1-3H3
InChIKey
FSJOICKLVJHETC-UHFFFAOYSA-N
Compound name
4-methoxy-N,N-dimethyl-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

338.1664 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17368 179.1
[M+Na]+ 361.15562 184.4
[M-H]- 337.15912 185.9
[M+NH4]+ 356.20022 195.0
[M+K]+ 377.12956 181.8
[M+H-H2O]+ 321.16366 172.0
[M+HCOO]- 383.16460 191.9
[M+CH3COO]- 397.18025 213.0
[M+Na-2H]- 359.14107 178.9
[M]+ 338.16585 180.4
[M]- 338.16695 180.4
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.