CID 14563011

Falciformin

Structural Information

Molecular Formula
C21H22O4
SMILES
CC(C)(C1=C(C=CC2=C1C(=O)CC(O2)C3=CC=CC=C3)OC)C(=C)O
InChI
InChI=1S/C21H22O4/c1-13(22)21(2,3)20-17(24-4)11-10-16-19(20)15(23)12-18(25-16)14-8-6-5-7-9-14/h5-11,18,22H,1,12H2,2-4H3
InChIKey
XHMVNELCFXCQCN-UHFFFAOYSA-N
Compound name
5-(3-hydroxy-2-methylbut-3-en-2-yl)-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 179.6
[M+Na]+ 361.14102 186.2
[M-H]- 337.14452 186.4
[M+NH4]+ 356.18562 192.2
[M+K]+ 377.11496 183.2
[M+H-H2O]+ 321.14906 172.1
[M+HCOO]- 383.15000 194.6
[M+CH3COO]- 397.16565 211.9
[M+Na-2H]- 359.12647 182.6
[M]+ 338.15125 180.6
[M]- 338.15235 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.