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]+ 401.174726 199.6
[M+Na]+ 423.156668 208.8
[M-H]- 399.160174 211.4
[M+NH4]+ 418.201273 210.2
[M+K]+ 439.130608 204.7
[M+H-H2O]+ 383.164710 188.6
[M+HCOO]- 445.165651 220.4
[M+CH3COO]- 459.181301 210.4
[M+Na-2H]- 421.142116 202.5
[M]+ 400.16690142 206.2
[M]- 400.16799858 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.