CID 504905

N-(3-fluoro-benzyl)-n-naphthalen-2-ylmethyl-2-oxo-succinamic acid

Structural Information

Molecular Formula
C22H18FNO4
SMILES
C1=CC=C2C=C(C=CC2=C1)CN(CC3=CC(=CC=C3)F)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C22H18FNO4/c23-19-7-3-4-15(11-19)13-24(21(26)12-20(25)22(27)28)14-16-8-9-17-5-1-2-6-18(17)10-16/h1-11H,12-14H2,(H,27,28)
InChIKey
LAXNQLBYVXHXAL-UHFFFAOYSA-N
Compound name
4-[(3-fluorophenyl)methyl-(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12198 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12926 188.1
[M+Na]+ 402.11120 192.6
[M-H]- 378.11470 193.6
[M+NH4]+ 397.15580 199.4
[M+K]+ 418.08514 188.9
[M+H-H2O]+ 362.11924 178.0
[M+HCOO]- 424.12018 206.6
[M+CH3COO]- 438.13583 222.3
[M+Na-2H]- 400.09665 188.9
[M]+ 379.12143 188.6
[M]- 379.12253 188.6
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.