CID 5497189

Noroxymorphone

Structural Information

Molecular Formula
C16H17NO4
SMILES
C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3)[C@H](C1=O)OC5=C(C=C4)O)O
InChI
InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1
InChIKey
HLMSIZPQBSYUNL-IPOQPSJVSA-N
Compound name
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

1692
Patents

287.11575 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 162.6
[M+Na]+ 310.10497 169.5
[M-H]- 286.10847 163.3
[M+NH4]+ 305.14957 183.2
[M+K]+ 326.07891 164.8
[M+H-H2O]+ 270.11301 155.3
[M+HCOO]- 332.11395 169.0
[M+CH3COO]- 346.12960 171.8
[M+Na-2H]- 308.09042 168.5
[M]+ 287.11520 158.8
[M]- 287.11630 158.8
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