CID 3083586

Pongapin

Structural Information

Molecular Formula
C19H12O6
SMILES
COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C19H12O6/c1-21-19-16(20)12-3-5-13-11(6-7-22-13)18(12)25-17(19)10-2-4-14-15(8-10)24-9-23-14/h2-8H,9H2,1H3
InChIKey
IGFBIJDAWSAJIF-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-3-methoxyfuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

26
Patents

336.0634 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07068 170.5
[M+Na]+ 359.05262 183.5
[M-H]- 335.05612 184.5
[M+NH4]+ 354.09722 185.7
[M+K]+ 375.02656 184.3
[M+H-H2O]+ 319.06066 166.1
[M+HCOO]- 381.06160 191.1
[M+CH3COO]- 395.07725 185.0
[M+Na-2H]- 357.03807 177.2
[M]+ 336.06285 181.4
[M]- 336.06395 181.4
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