CID 3048345

63903-68-4

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC[C@@]12CCN([C@H]([C@H]1O)CC3=C2C=C(C=C3)OC)C
InChI
InChI=1S/C16H23NO2/c1-4-16-7-8-17(2)14(15(16)18)9-11-5-6-12(19-3)10-13(11)16/h5-6,10,14-15,18H,4,7-9H2,1-3H3/t14-,15+,16-/m0/s1
InChIKey
ZXMVYFDNFXITBS-XHSDSOJGSA-N
Compound name
(1S,9S,13S)-1-ethyl-4-methoxy-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 162.4
[M+Na]+ 284.162098 169.9
[M-H]- 260.165604 163.2
[M+NH4]+ 279.206703 182.4
[M+K]+ 300.136038 165.8
[M+H-H2O]+ 244.170140 155.5
[M+HCOO]- 306.171081 175.6
[M+CH3COO]- 320.186731 198.5
[M+Na-2H]- 282.147546 167.9
[M]+ 261.17233142 161.8
[M]- 261.17342858 161.8
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.