CID 44257424

Stemonone

Structural Information

Molecular Formula
C19H14O8
SMILES
COC1=CC(=C2C(=C1)OC3=C(C2=O)C4=CC(=C(C=C4OC3=O)OC)OC)O
InChI
InChI=1S/C19H14O8/c1-23-8-4-10(20)16-14(5-8)26-18-15(17(16)21)9-6-12(24-2)13(25-3)7-11(9)27-19(18)22/h4-7,20H,1-3H3
InChIKey
WLTWCXGDUGNOON-UHFFFAOYSA-N
Compound name
11-hydroxy-2,3,9-trimethoxychromeno[3,4-b]chromene-6,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

370.06888 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07616 179.6
[M+Na]+ 393.05810 193.4
[M-H]- 369.06160 188.3
[M+NH4]+ 388.10270 192.3
[M+K]+ 409.03204 193.5
[M+H-H2O]+ 353.06614 170.7
[M+HCOO]- 415.06708 199.1
[M+CH3COO]- 429.08273 219.0
[M+Na-2H]- 391.04355 188.2
[M]+ 370.06833 193.0
[M]- 370.06943 193.0
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