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

5
Patents

281.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 168.4
[M+Na]+ 304.16720 172.0
[M-H]- 280.17070 174.1
[M+NH4]+ 299.21180 181.3
[M+K]+ 320.14114 166.8
[M+H-H2O]+ 264.17524 158.8
[M+HCOO]- 326.17618 184.4
[M+CH3COO]- 340.19183 177.7
[M+Na-2H]- 302.15265 170.1
[M]+ 281.17743 162.3
[M]- 281.17853 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.