CID 3747

Ipriflavone

Structural Information

Molecular Formula
C18H16O3
SMILES
CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI
InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey
SFBODOKJTYAUCM-UHFFFAOYSA-N
Compound name
3-phenyl-7-propan-2-yloxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

271
References

6789
Patents

280.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 162.2
[M+Na]+ 303.09917 179.2
[M+NH4]+ 298.14377 171.4
[M+K]+ 319.07311 171.1
[M-H]- 279.10267 169.1
[M+Na-2H]- 301.08462 171.5
[M]+ 280.10940 166.9
[M]- 280.11050 166.9
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