CID 19132

Physcionanthrone b

Structural Information

Molecular Formula
C16H14O4
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2)C=C(C=C3O)OC
InChI
InChI=1S/C16H14O4/c1-8-3-9-5-10-6-11(20-2)7-13(18)15(10)16(19)14(9)12(17)4-8/h3-4,6-7,17-18H,5H2,1-2H3
InChIKey
DRQZSQDHMHEDQS-UHFFFAOYSA-N
Compound name
1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 157.6
[M+Na]+ 293.07842 168.2
[M-H]- 269.08192 161.5
[M+NH4]+ 288.12302 175.6
[M+K]+ 309.05236 163.8
[M+H-H2O]+ 253.08646 151.5
[M+HCOO]- 315.08740 175.7
[M+CH3COO]- 329.10305 197.9
[M+Na-2H]- 291.06387 162.6
[M]+ 270.08865 159.8
[M]- 270.08975 159.8
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