CID 3061892

(-)-6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-5h-dibenz(d,f)azonin-1-ol hydrochloride

Structural Information

Molecular Formula
C26H28FNO3
SMILES
CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CC4=CC=C(C=C4)F)C=CC(=C3O)OC
InChI
InChI=1S/C26H28FNO3/c1-28-13-12-18-6-10-22(30-2)16-23(18)25-19(7-11-24(31-3)26(25)29)15-21(28)14-17-4-8-20(27)9-5-17/h4-11,16,21,29H,12-15H2,1-3H3
InChIKey
LJNIUCBMBSOCQJ-UHFFFAOYSA-N
Compound name
9-[(4-fluorophenyl)methyl]-4,16-dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

421.20532 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.21260 208.9
[M+Na]+ 444.19454 204.2
[M-H]- 420.19804 206.1
[M+NH4]+ 439.23914 206.3
[M+K]+ 460.16848 204.6
[M+H-H2O]+ 404.20258 197.4
[M+HCOO]- 466.20352 206.7
[M+CH3COO]- 480.21917 207.0
[M+Na-2H]- 442.17999 207.4
[M]+ 421.20477 206.3
[M]- 421.20587 206.3
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

patents stripe