CID 199421

4150-99-6

Structural Information

Molecular Formula
C18H23NOS
SMILES
CC(CN1CCCC1)C(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C18H23NOS/c1-15(14-19-11-5-6-12-19)18(20,17-10-7-13-21-17)16-8-3-2-4-9-16/h2-4,7-10,13,15,20H,5-6,11-12,14H2,1H3
InChIKey
LKVBUDXBSHJOJL-UHFFFAOYSA-N
Compound name
2-methyl-1-phenyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.15002 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15730 171.9
[M+Na]+ 324.13924 181.6
[M+NH4]+ 319.18384 180.6
[M+K]+ 340.11318 176.7
[M-H]- 300.14274 176.0
[M+Na-2H]- 322.12469 178.7
[M]+ 301.14947 174.9
[M]- 301.15057 174.9
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.