CID 3076333

4-piperidinol, 4-(4-cyclopropylphenyl)-1-(phenylmethyl)-, (z)-2-butenedioate (1:1) (salt)

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]+ 308.200876 173.5
[M+Na]+ 330.182818 179.4
[M-H]- 306.186324 182.7
[M+NH4]+ 325.227423 182.8
[M+K]+ 346.156758 174.6
[M+H-H2O]+ 290.190860 164.0
[M+HCOO]- 352.191801 190.6
[M+CH3COO]- 366.207451 182.7
[M+Na-2H]- 328.168266 176.7
[M]+ 307.19305142 170.3
[M]- 307.19414858 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.