CID 477821

2(diethylamino)-7-[4-(2'-oxazolinyl)-butoxy]-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CCN(CC)C1=CC(=O)C2=C(O1)C=C(C=C2)OCCCCC3=NCCO3
InChI
InChI=1S/C20H26N2O4/c1-3-22(4-2)20-14-17(23)16-9-8-15(13-18(16)26-20)24-11-6-5-7-19-21-10-12-25-19/h8-9,13-14H,3-7,10-12H2,1-2H3
InChIKey
BSAWCWRSXQVRJI-UHFFFAOYSA-N
Compound name
2-(diethylamino)-7-[4-(4,5-dihydro-1,3-oxazol-2-yl)butoxy]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.18927 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 187.5
[M+Na]+ 381.17849 193.8
[M-H]- 357.18199 195.9
[M+NH4]+ 376.22309 199.3
[M+K]+ 397.15243 192.9
[M+H-H2O]+ 341.18653 178.3
[M+HCOO]- 403.18747 208.1
[M+CH3COO]- 417.20312 219.9
[M+Na-2H]- 379.16394 190.5
[M]+ 358.18872 195.0
[M]- 358.18982 195.0
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.