CID 2734573

869495-24-9

Structural Information

Molecular Formula
C25H27NO
SMILES
C1CCN(CC1)[C@@H](C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C25H27NO/c27-25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24(21-13-5-1-6-14-21)26-19-11-4-12-20-26/h1-3,5-10,13-18,24,27H,4,11-12,19-20H2/t24-/m0/s1
InChIKey
BCFJVZGZDXPFBN-DEOSSOPVSA-N
Compound name
(2S)-1,1,2-triphenyl-2-piperidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

357.20926 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.216536 187.5
[M+Na]+ 380.198478 188.1
[M-H]- 356.201984 194.9
[M+NH4]+ 375.243083 195.9
[M+K]+ 396.172418 181.5
[M+H-H2O]+ 340.206520 176.1
[M+HCOO]- 402.207461 200.8
[M+CH3COO]- 416.223111 194.4
[M+Na-2H]- 378.183926 190.6
[M]+ 357.20871142 179.2
[M]- 357.20980858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe