CID 1974244

3,4-dimethyl-7-[2-oxo-2-(4-pentylphenyl)ethoxy]-2h-chromen-2-one

Structural Information

Molecular Formula
C24H26O4
SMILES
CCCCCC1=CC=C(C=C1)C(=O)COC2=CC3=C(C=C2)C(=C(C(=O)O3)C)C
InChI
InChI=1S/C24H26O4/c1-4-5-6-7-18-8-10-19(11-9-18)22(25)15-27-20-12-13-21-16(2)17(3)24(26)28-23(21)14-20/h8-14H,4-7,15H2,1-3H3
InChIKey
VBTAIFZWFJLVOA-UHFFFAOYSA-N
Compound name
3,4-dimethyl-7-[2-oxo-2-(4-pentylphenyl)ethoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1831 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19038 193.0
[M+Na]+ 401.17232 201.1
[M-H]- 377.17582 201.3
[M+NH4]+ 396.21692 204.9
[M+K]+ 417.14626 197.4
[M+H-H2O]+ 361.18036 183.7
[M+HCOO]- 423.18130 212.7
[M+CH3COO]- 437.19695 223.2
[M+Na-2H]- 399.15777 194.6
[M]+ 378.18255 200.3
[M]- 378.18365 200.3
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.