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
5
Annotation Hits

25
References

1967
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.