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
3
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]+ 306.185256 175.5
[M+Na]+ 328.167198 181.4
[M-H]- 304.170704 181.7
[M+NH4]+ 323.211803 191.2
[M+K]+ 344.141138 178.4
[M+H-H2O]+ 288.175240 167.7
[M+HCOO]- 350.176181 189.7
[M+CH3COO]- 364.191831 184.8
[M+Na-2H]- 326.152646 180.3
[M]+ 305.17743142 168.7
[M]- 305.17852858 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.