CID 6857497

Morphinan

Structural Information

Molecular Formula
C16H21N
SMILES
C1CC[C@@]23CCN[C@@H]([C@@H]2C1)CC4=CC=CC=C34
InChI
InChI=1S/C16H21N/c1-2-6-13-12(5-1)11-15-14-7-3-4-8-16(13,14)9-10-17-15/h1-2,5-6,14-15,17H,3-4,7-11H2/t14-,15+,16-/m0/s1
InChIKey
INAXVFBXDYWQFN-XHSDSOJGSA-N
Compound name
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3427
References

9287
Patents

227.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 153.5
[M+Na]+ 250.15662 157.1
[M-H]- 226.16012 155.2
[M+NH4]+ 245.20122 173.4
[M+K]+ 266.13056 151.3
[M+H-H2O]+ 210.16466 144.4
[M+HCOO]- 272.16560 164.1
[M+CH3COO]- 286.18125 162.7
[M+Na-2H]- 248.14207 159.9
[M]+ 227.16685 143.5
[M]- 227.16795 143.5
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