CID 17511

Brn 2153820

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(CC1(C2=CC=CC=C2CCC3=CC=CC=C31)O)CN(C)C
InChI
InChI=1S/C21H27NO/c1-16(15-22(2)3)14-21(23)19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,23H,12-15H2,1-3H3
InChIKey
GFTHYQRJEOORHK-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)-2-methylpropyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 171.9
[M+Na]+ 332.19848 182.6
[M+NH4]+ 327.24308 181.7
[M+K]+ 348.17242 174.5
[M-H]- 308.20198 175.9
[M+Na-2H]- 330.18393 178.9
[M]+ 309.20871 174.9
[M]- 309.20981 174.9
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.