CID 5319001

Licofuranocoumarin

Structural Information

Molecular Formula
C21H20O7
SMILES
CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)O
InChI
InChI=1S/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3
InChIKey
GAUFLNQQCSXBPK-UHFFFAOYSA-N
Compound name
6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

384.1209 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 187.7
[M+Na]+ 407.11012 197.4
[M-H]- 383.11362 195.2
[M+NH4]+ 402.15472 199.1
[M+K]+ 423.08406 196.0
[M+H-H2O]+ 367.11816 181.8
[M+HCOO]- 429.11910 201.6
[M+CH3COO]- 443.13475 216.3
[M+Na-2H]- 405.09557 191.6
[M]+ 384.12035 193.8
[M]- 384.12145 193.8
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