CID 1967130

3-benzyl-5-[(4-methoxybenzyl)oxy]-4,7-dimethyl-2h-chromen-2-one

Structural Information

Molecular Formula
C26H24O4
SMILES
CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=CC=C(C=C4)OC
InChI
InChI=1S/C26H24O4/c1-17-13-23(29-16-20-9-11-21(28-3)12-10-20)25-18(2)22(26(27)30-24(25)14-17)15-19-7-5-4-6-8-19/h4-14H,15-16H2,1-3H3
InChIKey
KWIUIZPEEKZKNY-UHFFFAOYSA-N
Compound name
3-benzyl-5-[(4-methoxyphenyl)methoxy]-4,7-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.16745 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17473 199.6
[M+Na]+ 423.15667 208.8
[M-H]- 399.16017 211.4
[M+NH4]+ 418.20127 210.2
[M+K]+ 439.13061 204.7
[M+H-H2O]+ 383.16471 188.6
[M+HCOO]- 445.16565 220.4
[M+CH3COO]- 459.18130 210.4
[M+Na-2H]- 421.14212 202.5
[M]+ 400.16690 206.2
[M]- 400.16800 206.2
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.