CID 46881084

Cicerin

Structural Information

Molecular Formula
C17H14O7
SMILES
COC1=CC2=C(C=C1C3COC4=CC(=CC(=C4C3=O)O)O)OCO2
InChI
InChI=1S/C17H14O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-5,10,18-19H,6-7H2,1H3
InChIKey
MNXNLFUKHPLPES-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

330.07394 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08122 171.1
[M+Na]+ 353.06316 184.4
[M+NH4]+ 348.10776 178.0
[M+K]+ 369.03710 182.3
[M-H]- 329.06666 177.6
[M+Na-2H]- 351.04861 172.9
[M]+ 330.07339 174.8
[M]- 330.07449 174.8
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