CID 3048241

Pyrrolidine, 1-(1,2,3,4-tetrahydro-5-methoxy-8-(1-pyrrolidinylsulfonyl)naphthyl)-, hydrochloride

Structural Information

Molecular Formula
C19H28N2O3S
SMILES
COC1=C2CCCC(C2=C(C=C1)S(=O)(=O)N3CCCC3)N4CCCC4
InChI
InChI=1S/C19H28N2O3S/c1-24-17-9-10-18(25(22,23)21-13-4-5-14-21)19-15(17)7-6-8-16(19)20-11-2-3-12-20/h9-10,16H,2-8,11-14H2,1H3
InChIKey
DFRCMZLPLHHEMG-UHFFFAOYSA-N
Compound name
1-(5-methoxy-8-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.18207 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18935 185.0
[M+Na]+ 387.17129 193.7
[M+NH4]+ 382.21589 192.6
[M+K]+ 403.14523 189.6
[M-H]- 363.17479 188.0
[M+Na-2H]- 385.15674 188.5
[M]+ 364.18152 187.3
[M]- 364.18262 187.3
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

No patent data available for this compound.