CID 120297

Fla 21

Structural Information

Molecular Formula
C24H28N2O4
SMILES
CCN(CC)CCCNC(=O)COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C24H28N2O4/c1-3-26(4-2)14-8-13-25-24(28)17-29-19-11-12-20-21(27)16-22(30-23(20)15-19)18-9-6-5-7-10-18/h5-7,9-12,15-16H,3-4,8,13-14,17H2,1-2H3,(H,25,28)
InChIKey
INZKDTCOKBTCIH-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2049 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21218 201.6
[M+Na]+ 431.19412 206.1
[M-H]- 407.19762 210.2
[M+NH4]+ 426.23872 211.5
[M+K]+ 447.16806 203.8
[M+H-H2O]+ 391.20216 190.9
[M+HCOO]- 453.20310 223.8
[M+CH3COO]- 467.21875 233.5
[M+Na-2H]- 429.17957 204.9
[M]+ 408.20435 207.8
[M]- 408.20545 207.8
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.