CID 6602198

2,7-methano-1h-3-benzazonin-9-ol, 2,3,4,5,6,7-hexahydro-7,12-dimethyl-3-(2-propenyl)-, hydrochloride, (2r-(2-alpha,7-alpha,12s*))-

Structural Information

Molecular Formula
C18H25NO
SMILES
C[C@@H]1[C@H]2CC3=C([C@@]1(CCCN2CC=C)C)C=C(C=C3)O
InChI
InChI=1S/C18H25NO/c1-4-9-19-10-5-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17-,18-/m1/s1
InChIKey
RKZVIDMFRCGXGC-FSPWUOQZSA-N
Compound name
(1R,9R,14S)-1,14-dimethyl-10-prop-2-enyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

271.1936 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 164.3
[M+Na]+ 294.182818 170.5
[M-H]- 270.186324 166.4
[M+NH4]+ 289.227423 182.8
[M+K]+ 310.156758 168.1
[M+H-H2O]+ 254.190860 158.7
[M+HCOO]- 316.191801 176.9
[M+CH3COO]- 330.207451 174.1
[M+Na-2H]- 292.168266 168.4
[M]+ 271.19305142 159.4
[M]- 271.19414858 159.4
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.