CID 3048319

63903-53-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 162.8
[M+Na]+ 284.162098 171.1
[M-H]- 260.165604 162.6
[M+NH4]+ 279.206703 184.1
[M+K]+ 300.136038 166.4
[M+H-H2O]+ 244.170140 156.7
[M+HCOO]- 306.171081 174.5
[M+CH3COO]- 320.186731 173.2
[M+Na-2H]- 282.147546 169.0
[M]+ 261.17233142 160.9
[M]- 261.17342858 160.9
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.