CID 5745695

63729-84-0

Structural Information

Molecular Formula
C17H21NO3
SMILES
CN1CC[C@]23[C@@H]4CCC([C@H]2[C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI
InChI=1S/C17H21NO3/c1-18-7-6-17-13-5-4-11(19)15(17)10(18)8-9-2-3-12(20)16(21-13)14(9)17/h2-3,10-11,13,15,19-20H,4-8H2,1H3/t10-,11?,13+,15-,17-/m1/s1
InChIKey
UZBOXKCKSVVZGQ-LJURKPAWSA-N
Compound name
(4R,4aR,7aS,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-5,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.15213 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 165.9
[M+Na]+ 310.14135 177.3
[M+NH4]+ 305.18595 177.2
[M+K]+ 326.11529 170.8
[M-H]- 286.14485 168.9
[M+Na-2H]- 308.12680 166.1
[M]+ 287.15158 168.5
[M]- 287.15268 168.5
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.