CID 46937121

(2s)-1-methyl-2-[(2s,4r)-2-methyl-4-phenylpentyl]piperidine

Structural Information

Molecular Formula
C18H29N
SMILES
C[C@H](C[C@@H]1CCCCN1C)C[C@@H](C)C2=CC=CC=C2
InChI
InChI=1S/C18H29N/c1-15(14-18-11-7-8-12-19(18)3)13-16(2)17-9-5-4-6-10-17/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3/t15-,16+,18-/m0/s1
InChIKey
UEEAJOUBQAEABH-JZXOWHBKSA-N
Compound name
(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.23 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.23728 167.0
[M+Na]+ 282.21922 169.1
[M-H]- 258.22272 170.4
[M+NH4]+ 277.26382 182.0
[M+K]+ 298.19316 165.7
[M+H-H2O]+ 242.22726 158.3
[M+HCOO]- 304.22820 182.3
[M+CH3COO]- 318.24385 200.5
[M+Na-2H]- 280.20467 166.8
[M]+ 259.22945 162.8
[M]- 259.23055 162.8
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