CID 39473

47485-41-6

Structural Information

Molecular Formula
C23H31NOS
SMILES
C1CCN(C1)CCSCC(CC2CCCO2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H31NOS/c1-2-10-22-19(7-1)8-5-11-23(22)20(17-21-9-6-15-25-21)18-26-16-14-24-12-3-4-13-24/h1-2,5,7-8,10-11,20-21H,3-4,6,9,12-18H2
InChIKey
VUOJEVZRTIGIKR-UHFFFAOYSA-N
Compound name
1-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.21265 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21993 189.5
[M+Na]+ 392.20187 200.1
[M+NH4]+ 387.24647 199.0
[M+K]+ 408.17581 193.0
[M-H]- 368.20537 196.6
[M+Na-2H]- 390.18732 194.6
[M]+ 369.21210 193.5
[M]- 369.21320 193.5
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.