CID 3048361

Alpha-5,9-dimethyl-2'-hydroxy-2(n)-(p-methoxyphenethyl)-6,7-benzomorphan hydrobromide

Structural Information

Molecular Formula
C23H29NO2
SMILES
C[C@H]1[C@@H]2CC3=C([C@@]1(CCN2CCC4=CC=C(C=C4)OC)C)C=C(C=C3)O
InChI
InChI=1S/C23H29NO2/c1-16-22-14-18-6-7-19(25)15-21(18)23(16,2)11-13-24(22)12-10-17-4-8-20(26-3)9-5-17/h4-9,15-16,22,25H,10-14H2,1-3H3/t16-,22-,23+/m0/s1
InChIKey
CSFSJDAQGVFZGZ-IRBZQWRBSA-N
Compound name
(1R,9S,13R)-10-[2-(4-methoxyphenyl)ethyl]-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

351.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 188.8
[M+Na]+ 374.209038 195.2
[M-H]- 350.212544 192.2
[M+NH4]+ 369.253643 204.5
[M+K]+ 390.182978 189.1
[M+H-H2O]+ 334.217080 179.1
[M+HCOO]- 396.218021 200.7
[M+CH3COO]- 410.233671 197.3
[M+Na-2H]- 372.194486 191.8
[M]+ 351.21927142 188.0
[M]- 351.22036858 188.0
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.