CID 5492873

14-hydroxymorphine

Structural Information

Molecular Formula
C17H19NO4
SMILES
CN1CC[C@]23[C@@H]4[C@H](C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O
InChI
InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-5,11-12,15,19-21H,6-8H2,1H3/t11-,12+,15-,16-,17+/m0/s1
InChIKey
WYMBHLXUDPDGQJ-BRJGLHKUSA-N
Compound name
(4R,4aS,7S,7aR,12bS)-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

253
Patents

301.1314 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 167.4
[M+Na]+ 324.12062 175.4
[M-H]- 300.12412 168.7
[M+NH4]+ 319.16522 187.9
[M+K]+ 340.09456 171.1
[M+H-H2O]+ 284.12866 160.2
[M+HCOO]- 346.12960 174.7
[M+CH3COO]- 360.14525 177.1
[M+Na-2H]- 322.10607 173.1
[M]+ 301.13085 166.5
[M]- 301.13195 166.5
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