CID 89256

Sch 5472

Structural Information

Molecular Formula
C19H23NO
SMILES
CN1CCCCC1C(C2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C19H23NO/c1-20-13-6-5-12-18(20)19(15-8-3-2-4-9-15)16-10-7-11-17(21)14-16/h2-4,7-11,14,18-19,21H,5-6,12-13H2,1H3
InChIKey
HWUXTANMKXCFCP-UHFFFAOYSA-N
Compound name
3-[(1-methylpiperidin-2-yl)-phenylmethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.4
[M+Na]+ 304.167198 172.0
[M-H]- 280.170704 174.1
[M+NH4]+ 299.211803 181.3
[M+K]+ 320.141138 166.8
[M+H-H2O]+ 264.175240 158.8
[M+HCOO]- 326.176181 184.4
[M+CH3COO]- 340.191831 177.7
[M+Na-2H]- 302.152646 170.1
[M]+ 281.17743142 162.3
[M]- 281.17852858 162.3
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.