CID 3041203

1,1-diphenyl-3-(piperidin-1-yl)propyl methanesulfonate

Structural Information

Molecular Formula
C21H27NO3S
SMILES
CS(=O)(=O)OC(CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO3S/c1-26(23,24)25-21(19-11-5-2-6-12-19,20-13-7-3-8-14-20)15-18-22-16-9-4-10-17-22/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3
InChIKey
CNGZDVMAVFKQNH-UHFFFAOYSA-N
Compound name
(1,1-diphenyl-3-piperidin-1-ylpropyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

373.17117 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.178446 189.5
[M+Na]+ 396.160388 192.5
[M-H]- 372.163894 195.9
[M+NH4]+ 391.204993 199.5
[M+K]+ 412.134328 187.6
[M+H-H2O]+ 356.168430 179.9
[M+HCOO]- 418.169371 200.2
[M+CH3COO]- 432.185021 211.6
[M+Na-2H]- 394.145836 192.7
[M]+ 373.17062142 188.5
[M]- 373.17171858 188.5
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

patents stripe