CID 5288826

Morphine

Structural Information

Molecular Formula
C17H19NO3
SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI
InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
InChIKey
BQJCRHHNABKAKU-KBQPJGBKSA-N
Compound name
(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

48816
References

115332
Patents

285.1365 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 164.6
[M+Na]+ 308.12572 177.0
[M+NH4]+ 303.17032 176.0
[M+K]+ 324.09966 170.2
[M-H]- 284.12922 167.8
[M+Na-2H]- 306.11117 165.7
[M]+ 285.13595 167.5
[M]- 285.13705 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe