CID 53471523

Ns00059604

Structural Information

Molecular Formula
C21H23NO
SMILES
CC1(CCNCC1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O
InChI
InChI=1S/C21H23NO/c1-20(12-14-22-15-13-20)21(23)18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)21/h2-11,22-23H,12-15H2,1H3
InChIKey
CEGISEJCSFMVJE-UHFFFAOYSA-N
Compound name
2-(4-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]+ 306.185256 177.5
[M+Na]+ 328.167198 183.3
[M-H]- 304.170704 182.5
[M+NH4]+ 323.211803 194.2
[M+K]+ 344.141138 179.1
[M+H-H2O]+ 288.175240 169.4
[M+HCOO]- 350.176181 190.3
[M+CH3COO]- 364.191831 186.1
[M+Na-2H]- 326.152646 183.3
[M]+ 305.17743142 169.1
[M]- 305.17852858 169.1
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.