CID 3045066

58206-99-8

Structural Information

Molecular Formula
C18H23NO3
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1C[C@@]34CC[C@@H](C=C4)O)O)OC
InChI
InChI=1S/C18H23NO3/c1-19-8-5-11-9-14(22-2)17(21)16-15(11)13(19)10-18(16)6-3-12(20)4-7-18/h3,6,9,12-13,20-21H,4-5,7-8,10H2,1-2H3/t12-,13+,18-/m1/s1
InChIKey
XXPUHUHGYZFFIO-FHSNZYRGSA-N
Compound name
(1'S,2R,4S)-10-methoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohex-2-ene]-1',11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 170.9
[M+Na]+ 324.15702 182.6
[M+NH4]+ 319.20162 181.2
[M+K]+ 340.13096 175.7
[M-H]- 300.16052 173.2
[M+Na-2H]- 322.14247 174.1
[M]+ 301.16725 173.3
[M]- 301.16835 173.3
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.