CID 5361090

Oxilorphan

Structural Information

Molecular Formula
C20H27NO2
SMILES
C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CC5)C=C(C=C4)O)O
InChI
InChI=1S/C20H27NO2/c22-16-6-5-15-11-18-20(23)8-2-1-7-19(20,17(15)12-16)9-10-21(18)13-14-3-4-14/h5-6,12,14,18,22-23H,1-4,7-11,13H2/t18-,19+,20-/m1/s1
InChIKey
STBZIDOIKQNFCQ-HSALFYBXSA-N
Compound name
(1S,9R,10S)-17-(cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

999
Patents

313.2042 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.9
[M+Na]+ 336.19342 185.0
[M-H]- 312.19692 183.1
[M+NH4]+ 331.23802 192.0
[M+K]+ 352.16736 180.0
[M+H-H2O]+ 296.20146 170.3
[M+HCOO]- 358.20240 186.7
[M+CH3COO]- 372.21805 186.5
[M+Na-2H]- 334.17887 182.6
[M]+ 313.20365 174.3
[M]- 313.20475 174.3
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