CID 169441305

15370-49-7

Structural Information

Molecular Formula
C18H22O3
SMILES
C[C@]12CCC3C(C1CCOC2=O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H22O3/c1-18-8-6-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)7-9-21-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14?,15?,16?,18-/m0/s1
InChIKey
WZONKPYLKWCOPN-GUZDXLFXSA-N
Compound name
(12aS)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]isochromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.164176 164.9
[M+Na]+ 309.146118 170.8
[M-H]- 285.149624 169.1
[M+NH4]+ 304.190723 183.4
[M+K]+ 325.120058 167.1
[M+H-H2O]+ 269.154160 157.3
[M+HCOO]- 331.155101 175.0
[M+CH3COO]- 345.170751 174.7
[M+Na-2H]- 307.131566 169.9
[M]+ 286.15635142 159.5
[M]- 286.15744858 159.5
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.