CID 58888

Ro 3-0545

Structural Information

Molecular Formula
C18H23NO
SMILES
CC1CCN(C(C1)C)CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H23NO/c1-13-9-10-19(14(2)11-13)12-17-16-6-4-3-5-15(16)7-8-18(17)20/h3-8,13-14,20H,9-12H2,1-2H3
InChIKey
UUUCDNVNAZOHPC-UHFFFAOYSA-N
Compound name
1-[(2,4-dimethylpiperidin-1-yl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 165.5
[M+Na]+ 292.167198 171.9
[M-H]- 268.170704 169.7
[M+NH4]+ 287.211803 181.1
[M+K]+ 308.141138 166.4
[M+H-H2O]+ 252.175240 157.1
[M+HCOO]- 314.176181 181.2
[M+CH3COO]- 328.191831 175.8
[M+Na-2H]- 290.152646 168.1
[M]+ 269.17743142 161.9
[M]- 269.17852858 161.9
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.