CID 91077438

4-methyl-7-(tetradecanoyl)-2h-1-benzopyran-2-one

Structural Information

Molecular Formula
C24H34O3
SMILES
CCCCCCCCCCCCCC(=O)C1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C24H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(25)20-15-16-21-19(2)17-24(26)27-23(21)18-20/h15-18H,3-14H2,1-2H3
InChIKey
HBTDVDIVNIPXCV-UHFFFAOYSA-N
Compound name
4-methyl-7-tetradecanoylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.2508 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.258076 195.8
[M+Na]+ 393.240018 201.0
[M-H]- 369.243524 199.5
[M+NH4]+ 388.284623 208.1
[M+K]+ 409.213958 196.7
[M+H-H2O]+ 353.248060 187.3
[M+HCOO]- 415.249001 214.0
[M+CH3COO]- 429.264651 222.6
[M+Na-2H]- 391.225466 196.4
[M]+ 370.25025142 203.7
[M]- 370.25134858 203.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.