CID 1780970

7-[(4-methoxybenzyl)oxy]-4-phenyl-6-propyl-2h-chromen-2-one

Structural Information

Molecular Formula
C26H24O4
SMILES
CCCC1=CC2=C(C=C1OCC3=CC=C(C=C3)OC)OC(=O)C=C2C4=CC=CC=C4
InChI
InChI=1S/C26H24O4/c1-3-7-20-14-23-22(19-8-5-4-6-9-19)15-26(27)30-25(23)16-24(20)29-17-18-10-12-21(28-2)13-11-18/h4-6,8-16H,3,7,17H2,1-2H3
InChIKey
STWXWLWWPPJWPM-UHFFFAOYSA-N
Compound name
7-[(4-methoxyphenyl)methoxy]-4-phenyl-6-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.16745 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.174726 199.4
[M+Na]+ 423.156668 207.7
[M-H]- 399.160174 210.7
[M+NH4]+ 418.201273 209.7
[M+K]+ 439.130608 203.4
[M+H-H2O]+ 383.164710 188.2
[M+HCOO]- 445.165651 220.2
[M+CH3COO]- 459.181301 209.8
[M+Na-2H]- 421.142116 203.0
[M]+ 400.16690142 205.5
[M]- 400.16799858 205.5
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.