CID 6451638

5-(1-methylpiperidin-4-yl)-5h-dibenzo[a,d][7]annulen-5-ol

Structural Information

Molecular Formula
C21H23NO
SMILES
CN1CCC(CC1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O
InChI
InChI=1S/C21H23NO/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,23H,12-15H2,1H3
InChIKey
NPSCPXDYXVEYQW-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17798 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18526 175.5
[M+Na]+ 328.16720 181.4
[M-H]- 304.17070 181.7
[M+NH4]+ 323.21180 191.2
[M+K]+ 344.14114 178.4
[M+H-H2O]+ 288.17524 167.7
[M+HCOO]- 350.17618 189.7
[M+CH3COO]- 364.19183 184.8
[M+Na-2H]- 326.15265 180.3
[M]+ 305.17743 168.7
[M]- 305.17853 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.