CID 5359371

Levallorphan

Structural Information

Molecular Formula
C19H25NO
SMILES
C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1
InChIKey
OZYUPQUCAUTOBP-QXAKKESOSA-N
Compound name
(1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

442
References

9350
Patents

283.1936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 169.5
[M+Na]+ 306.18282 173.8
[M-H]- 282.18632 171.3
[M+NH4]+ 301.22742 187.5
[M+K]+ 322.15676 167.5
[M+H-H2O]+ 266.19086 160.3
[M+HCOO]- 328.19180 179.3
[M+CH3COO]- 342.20745 177.9
[M+Na-2H]- 304.16827 173.1
[M]+ 283.19305 162.0
[M]- 283.19415 162.0
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