CID 504945

4-[4-methoxy-n-(2-naphthylmethyl)anilino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C22H19NO5
SMILES
COC1=CC=C(C=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C22H19NO5/c1-28-19-10-8-18(9-11-19)23(21(25)13-20(24)22(26)27)14-15-6-7-16-4-2-3-5-17(16)12-15/h2-12H,13-14H2,1H3,(H,26,27)
InChIKey
DGCODKVLXHVFNL-UHFFFAOYSA-N
Compound name
4-[4-methoxy-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1263 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13358 187.5
[M+Na]+ 400.11552 191.7
[M-H]- 376.11902 194.4
[M+NH4]+ 395.16012 198.8
[M+K]+ 416.08946 189.3
[M+H-H2O]+ 360.12356 178.2
[M+HCOO]- 422.12450 207.2
[M+CH3COO]- 436.14015 221.9
[M+Na-2H]- 398.10097 189.1
[M]+ 377.12575 190.5
[M]- 377.12685 190.5
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.