CID 6602214

63715-94-6

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C
InChI
InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey
QSMMSROGHQAUSB-SSTWWWIQSA-N
Compound name
[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 176.6
[M+Na]+ 352.15194 187.3
[M+NH4]+ 347.19654 186.9
[M+K]+ 368.12588 181.3
[M-H]- 328.15544 179.0
[M+Na-2H]- 350.13739 176.0
[M]+ 329.16217 178.9
[M]- 329.16327 178.9
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.