CID 9884262

Topopyrone c

Structural Information

Molecular Formula
C18H10O7
SMILES
CC1=CC(=O)C2=C(C=C3C(=C2O1)C(=O)C4=C(C3=O)C=C(C=C4O)O)O
InChI
InChI=1S/C18H10O7/c1-6-2-10(20)15-12(22)5-9-14(18(15)25-6)17(24)13-8(16(9)23)3-7(19)4-11(13)21/h2-5,19,21-22H,1H3
InChIKey
AWDAPFGGFWZKGB-UHFFFAOYSA-N
Compound name
5,9,11-trihydroxy-2-methylnaphtho[3,2-h]chromene-4,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

338.04266 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04994 170.5
[M+Na]+ 361.03188 183.2
[M-H]- 337.03538 175.6
[M+NH4]+ 356.07648 184.6
[M+K]+ 377.00582 180.0
[M+H-H2O]+ 321.03992 163.5
[M+HCOO]- 383.04086 185.5
[M+CH3COO]- 397.05651 210.7
[M+Na-2H]- 359.01733 176.0
[M]+ 338.04211 175.3
[M]- 338.04321 175.3
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