CID 5284569

Hydrocodone

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4
InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
InChIKey
LLPOLZWFYMWNKH-CMKMFDCUSA-N
Compound name
(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1051
References

63525
Patents

299.15213 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 167.7
[M+Na]+ 322.14135 174.5
[M-H]- 298.14485 171.9
[M+NH4]+ 317.18595 188.0
[M+K]+ 338.11529 171.0
[M+H-H2O]+ 282.14939 159.2
[M+HCOO]- 344.15033 177.7
[M+CH3COO]- 358.16598 177.9
[M+Na-2H]- 320.12680 171.4
[M]+ 299.15158 167.7
[M]- 299.15268 167.7
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.