CID 5321977

Torachrysone

Structural Information

Molecular Formula
C14H14O4
SMILES
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O)OC
InChI
InChI=1S/C14H14O4/c1-7-4-9-5-10(18-3)6-11(16)13(9)14(17)12(7)8(2)15/h4-6,16-17H,1-3H3
InChIKey
BIJOPUWEMBBDEG-UHFFFAOYSA-N
Compound name
1-(1,8-dihydroxy-6-methoxy-3-methylnaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

193
Patents

246.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 152.9
[M+Na]+ 269.07842 166.5
[M+NH4]+ 264.12302 160.3
[M+K]+ 285.05236 161.1
[M-H]- 245.08192 154.2
[M+Na-2H]- 267.06387 157.4
[M]+ 246.08865 155.2
[M]- 246.08975 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe