CID 1569496

7-cinnamoyloxyisoflavone

Structural Information

Molecular Formula
C24H16O4
SMILES
C1=CC=C(C=C1)/C=C/C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4
InChI
InChI=1S/C24H16O4/c25-23(14-11-17-7-3-1-4-8-17)28-19-12-13-20-22(15-19)27-16-21(24(20)26)18-9-5-2-6-10-18/h1-16H/b14-11+
InChIKey
OABHDNWMBXCOOQ-SDNWHVSQSA-N
Compound name
(4-oxo-3-phenylchromen-7-yl) (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.10486 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11214 187.7
[M+Na]+ 391.09408 195.6
[M-H]- 367.09758 198.8
[M+NH4]+ 386.13868 198.6
[M+K]+ 407.06802 190.9
[M+H-H2O]+ 351.10212 177.2
[M+HCOO]- 413.10306 208.7
[M+CH3COO]- 427.11871 198.4
[M+Na-2H]- 389.07953 192.8
[M]+ 368.10431 190.3
[M]- 368.10541 190.3
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.