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]+ 371.25808 195.8
[M+Na]+ 393.24002 201.0
[M-H]- 369.24352 199.5
[M+NH4]+ 388.28462 208.1
[M+K]+ 409.21396 196.7
[M+H-H2O]+ 353.24806 187.3
[M+HCOO]- 415.24900 214.0
[M+CH3COO]- 429.26465 222.6
[M+Na-2H]- 391.22547 196.4
[M]+ 370.25025 203.7
[M]- 370.25135 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.