CID 44260092

6-methoxypulcherrimin

Structural Information

Molecular Formula
C19H14O8
SMILES
COC1=C(C(=C2C(=C1)OC3=C(C2=O)OCC4=C3C=CC5=C4OCO5)O)OC
InChI
InChI=1S/C19H14O8/c1-22-12-5-11-13(14(20)18(12)23-2)15(21)19-17(27-11)8-3-4-10-16(26-7-25-10)9(8)6-24-19/h3-5,20H,6-7H2,1-2H3
InChIKey
KRPNMZQYEXAVOD-UHFFFAOYSA-N
Compound name
16-hydroxy-17,18-dimethoxy-6,8,12,21-tetraoxapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-1(13),2(10),3,5(9),15,17,19-heptaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06888 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07616 178.3
[M+Na]+ 393.05810 189.8
[M-H]- 369.06160 188.2
[M+NH4]+ 388.10270 190.7
[M+K]+ 409.03204 191.5
[M+H-H2O]+ 353.06614 172.0
[M+HCOO]- 415.06708 192.0
[M+CH3COO]- 429.08273 190.6
[M+Na-2H]- 391.04355 185.6
[M]+ 370.06833 188.7
[M]- 370.06943 188.7
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

No patent data available for this compound.