CID 3041203

53639-82-0

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
1
Annotation Hits

0
References

9
Patents

373.17117 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17845 187.9
[M+Na]+ 396.16039 199.7
[M+NH4]+ 391.20499 195.1
[M+K]+ 412.13433 190.7
[M-H]- 372.16389 192.1
[M+Na-2H]- 394.14584 196.8
[M]+ 373.17062 191.3
[M]- 373.17172 191.3
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

patents stripe