CID 5492912

Brn 0623758

Structural Information

Molecular Formula
C18H23NO3
SMILES
CN1CC[C@]23[C@@H]4CCC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI
InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,20)13(19)10-11-5-6-12(21-2)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1
InChIKey
RTSADQCTRAIWTC-LTCOOKNTSA-N
Compound name
(4R,4aS,7aS,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

301.1678 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 168.9
[M+Na]+ 324.15702 175.4
[M-H]- 300.16052 171.8
[M+NH4]+ 319.20162 190.4
[M+K]+ 340.13096 171.7
[M+H-H2O]+ 284.16506 160.3
[M+HCOO]- 346.16600 177.3
[M+CH3COO]- 360.18165 178.6
[M+Na-2H]- 322.14247 173.9
[M]+ 301.16725 168.0
[M]- 301.16835 168.0
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

patents stripe