CID 3076333

1-benzyl-4-(4-cyclopropylphenyl)piperidine-4-ol maleate

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CC1C2=CC=C(C=C2)C3(CCN(CC3)CC4=CC=CC=C4)O
InChI
InChI=1S/C21H25NO/c23-21(20-10-8-19(9-11-20)18-6-7-18)12-14-22(15-13-21)16-17-4-2-1-3-5-17/h1-5,8-11,18,23H,6-7,12-16H2
InChIKey
SRNORMYTGNRHHN-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-cyclopropylphenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 173.5
[M+Na]+ 330.18282 179.4
[M-H]- 306.18632 182.7
[M+NH4]+ 325.22742 182.8
[M+K]+ 346.15676 174.6
[M+H-H2O]+ 290.19086 164.0
[M+HCOO]- 352.19180 190.6
[M+CH3COO]- 366.20745 182.7
[M+Na-2H]- 328.16827 176.7
[M]+ 307.19305 170.3
[M]- 307.19415 170.3
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

No patent data available for this compound.