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 191.3
[M+Na]+ 392.20187 194.3
[M-H]- 368.20537 199.6
[M+NH4]+ 387.24647 205.6
[M+K]+ 408.17581 190.1
[M+H-H2O]+ 352.20991 183.6
[M+HCOO]- 414.21085 202.4
[M+CH3COO]- 428.22650 199.8
[M+Na-2H]- 390.18732 186.5
[M]+ 369.21210 190.7
[M]- 369.21320 190.7
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.