CID 504932

4-[3-(2,4-difluorophenyl)propyl-(2-naphthylmethyl)amino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C24H21F2NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)CN(CCCC3=C(C=C(C=C3)F)F)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C24H21F2NO4/c25-20-10-9-18(21(26)13-20)6-3-11-27(23(29)14-22(28)24(30)31)15-16-7-8-17-4-1-2-5-19(17)12-16/h1-2,4-5,7-10,12-13H,3,6,11,14-15H2,(H,30,31)
InChIKey
WGVYHYFXXMOWDG-UHFFFAOYSA-N
Compound name
4-[3-(2,4-difluorophenyl)propyl-(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.14386 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15114 200.6
[M+Na]+ 448.13308 205.1
[M-H]- 424.13658 204.6
[M+NH4]+ 443.17768 210.2
[M+K]+ 464.10702 200.6
[M+H-H2O]+ 408.14112 189.2
[M+HCOO]- 470.14206 217.2
[M+CH3COO]- 484.15771 232.0
[M+Na-2H]- 446.11853 198.9
[M]+ 425.14331 201.1
[M]- 425.14441 201.1
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.