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]+ 379.190376 193.0
[M+Na]+ 401.172318 201.1
[M-H]- 377.175824 201.3
[M+NH4]+ 396.216923 204.9
[M+K]+ 417.146258 197.4
[M+H-H2O]+ 361.180360 183.7
[M+HCOO]- 423.181301 212.7
[M+CH3COO]- 437.196951 223.2
[M+Na-2H]- 399.157766 194.6
[M]+ 378.18255142 200.3
[M]- 378.18364858 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.