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]+ 270.18526 165.5
[M+Na]+ 292.16720 171.9
[M-H]- 268.17070 169.7
[M+NH4]+ 287.21180 181.1
[M+K]+ 308.14114 166.4
[M+H-H2O]+ 252.17524 157.1
[M+HCOO]- 314.17618 181.2
[M+CH3COO]- 328.19183 175.8
[M+Na-2H]- 290.15265 168.1
[M]+ 269.17743 161.9
[M]- 269.17853 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.