CID 389887

Nsc686516

Structural Information

Molecular Formula
C20H24O4
SMILES
CC1=C2C(=CC3=C1CCCC3(C)C)C(=C(C(=O)C2=O)[C@@H](C)CO)O
InChI
InChI=1S/C20H24O4/c1-10(9-21)15-17(22)13-8-14-12(6-5-7-20(14,3)4)11(2)16(13)19(24)18(15)23/h8,10,21-22H,5-7,9H2,1-4H3/t10-/m0/s1
InChIKey
HPDJDMAPXQNONF-JTQLQIEISA-N
Compound name
4-hydroxy-3-[(2R)-1-hydroxypropan-2-yl]-5,5,9-trimethyl-7,8-dihydro-6H-anthracene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 175.5
[M+Na]+ 351.15667 184.2
[M-H]- 327.16017 178.5
[M+NH4]+ 346.20127 193.2
[M+K]+ 367.13061 179.6
[M+H-H2O]+ 311.16471 170.0
[M+HCOO]- 373.16565 188.3
[M+CH3COO]- 387.18130 211.8
[M+Na-2H]- 349.14212 176.0
[M]+ 328.16690 175.7
[M]- 328.16800 175.7
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.