CID 504908

N-naphthalen-2-ylmethyl-2-oxo-n-(2-trifluoromethyl-phenyl)-succinamic acid

Structural Information

Molecular Formula
C22H16F3NO4
SMILES
C1=CC=C2C=C(C=CC2=C1)CN(C3=CC=CC=C3C(F)(F)F)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C22H16F3NO4/c23-22(24,25)17-7-3-4-8-18(17)26(20(28)12-19(27)21(29)30)13-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13H2,(H,29,30)
InChIKey
NVCUWXUPFDFAQE-UHFFFAOYSA-N
Compound name
4-[N-(naphthalen-2-ylmethyl)-2-(trifluoromethyl)anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.10315 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.11043 193.7
[M+Na]+ 438.09237 198.8
[M-H]- 414.09587 196.7
[M+NH4]+ 433.13697 203.6
[M+K]+ 454.06631 194.9
[M+H-H2O]+ 398.10041 182.3
[M+HCOO]- 460.10135 208.4
[M+CH3COO]- 474.11700 227.3
[M+Na-2H]- 436.07782 194.3
[M]+ 415.10260 191.5
[M]- 415.10370 191.5
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.