CID 44260104

Neofolin

Structural Information

Molecular Formula
C20H14O7
SMILES
COC1=CC2=C(C=C1C3=CC4=C(C(=C5C(=C4)C=CO5)OC)OC3=O)OCO2
InChI
InChI=1S/C20H14O7/c1-22-14-8-16-15(25-9-26-16)7-12(14)13-6-11-5-10-3-4-24-17(10)19(23-2)18(11)27-20(13)21/h3-8H,9H2,1-2H3
InChIKey
SUNDAONUHLDQBY-UHFFFAOYSA-N
Compound name
9-methoxy-6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

366.07394 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08122 178.6
[M+Na]+ 389.06316 191.6
[M-H]- 365.06666 192.8
[M+NH4]+ 384.10776 192.7
[M+K]+ 405.03710 193.0
[M+H-H2O]+ 349.07120 174.0
[M+HCOO]- 411.07214 198.9
[M+CH3COO]- 425.08779 192.8
[M+Na-2H]- 387.04861 184.4
[M]+ 366.07339 191.6
[M]- 366.07449 191.6
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