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
2
Annotation Hits

0
References

61
Patents

270.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 157.6
[M+Na]+ 293.07842 172.6
[M+NH4]+ 288.12302 165.6
[M+K]+ 309.05236 168.3
[M-H]- 269.08192 162.1
[M+Na-2H]- 291.06387 161.6
[M]+ 270.08865 161.1
[M]- 270.08975 161.1
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