CID 12233038

Einecs 248-106-8

Structural Information

Molecular Formula
C21H25NO
SMILES
C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=CC=CC=C4)C)C=C(C=C3)O
InChI
InChI=1S/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3/t15-,20+,21+/m0/s1
InChIKey
RPMPAQXGZYLEST-IWMITWMQSA-N
Compound name
(1R,9R,13R)-10-benzyl-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 176.8
[M+Na]+ 330.18282 192.0
[M+NH4]+ 325.22742 188.6
[M+K]+ 346.15676 180.1
[M-H]- 306.18632 181.9
[M+Na-2H]- 328.16827 183.8
[M]+ 307.19305 180.8
[M]- 307.19415 180.8
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.