CID 69502

Alloimperatorin

Structural Information

Molecular Formula
C16H14O4
SMILES
CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C
InChI
InChI=1S/C16H14O4/c1-9(2)3-4-10-11-5-6-13(17)20-16(11)14(18)15-12(10)7-8-19-15/h3,5-8,18H,4H2,1-2H3
InChIKey
KDXVVZMYSLWJMA-UHFFFAOYSA-N
Compound name
9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

62
Patents

270.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 158.6
[M+Na]+ 293.078418 170.3
[M-H]- 269.081924 165.5
[M+NH4]+ 288.123023 176.4
[M+K]+ 309.052358 167.9
[M+H-H2O]+ 253.086460 153.3
[M+HCOO]- 315.087401 179.4
[M+CH3COO]- 329.103051 196.8
[M+Na-2H]- 291.063866 164.7
[M]+ 270.08865142 165.4
[M]- 270.08974858 165.4
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