CID 198608

83898-26-4

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1=CC=C(C=C1)C2(CCN(CC2)CC3=CC=CC=C3)O
InChI
InChI=1S/C19H23NO/c1-16-7-9-18(10-8-16)19(21)11-13-20(14-12-19)15-17-5-3-2-4-6-17/h2-10,21H,11-15H2,1H3
InChIKey
AZGNTLLAVWZVIQ-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-methylphenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

281.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 169.2
[M+Na]+ 304.167198 174.3
[M-H]- 280.170704 175.4
[M+NH4]+ 299.211803 184.4
[M+K]+ 320.141138 168.9
[M+H-H2O]+ 264.175240 159.8
[M+HCOO]- 326.176181 186.3
[M+CH3COO]- 340.191831 179.1
[M+Na-2H]- 302.152646 173.0
[M]+ 281.17743142 164.1
[M]- 281.17852858 164.1
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