CID 40511

Piperidine, 1-((2-methoxy-1-anthracenyl)methyl)-, hydrochloride

Structural Information

Molecular Formula
C21H23NO
SMILES
COC1=C(C2=CC3=CC=CC=C3C=C2C=C1)CN4CCCCC4
InChI
InChI=1S/C21H23NO/c1-23-21-10-9-18-13-16-7-3-4-8-17(16)14-19(18)20(21)15-22-11-5-2-6-12-22/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3
InChIKey
WMYLZPXLLKIHBV-UHFFFAOYSA-N
Compound name
1-[(2-methoxyanthracen-1-yl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 173.1
[M+Na]+ 328.16720 179.9
[M-H]- 304.17070 179.2
[M+NH4]+ 323.21180 188.3
[M+K]+ 344.14114 173.6
[M+H-H2O]+ 288.17524 162.9
[M+HCOO]- 350.17618 190.3
[M+CH3COO]- 364.19183 183.3
[M+Na-2H]- 326.15265 179.0
[M]+ 305.17743 171.7
[M]- 305.17853 171.7
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.