CID 504946

4-[(6-methyl-2-pyridyl)-(2-naphthylmethyl)amino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CC1=NC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C21H18N2O4/c1-14-5-4-8-19(22-14)23(20(25)12-18(24)21(26)27)13-15-9-10-16-6-2-3-7-17(16)11-15/h2-11H,12-13H2,1H3,(H,26,27)
InChIKey
FQESQSVQOFGZHW-UHFFFAOYSA-N
Compound name
4-[(6-methylpyridin-2-yl)-(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12665 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 184.2
[M+Na]+ 385.11587 189.0
[M-H]- 361.11937 189.9
[M+NH4]+ 380.16047 194.9
[M+K]+ 401.08981 185.8
[M+H-H2O]+ 345.12391 174.4
[M+HCOO]- 407.12485 202.8
[M+CH3COO]- 421.14050 219.5
[M+Na-2H]- 383.10132 186.4
[M]+ 362.12610 185.9
[M]- 362.12720 185.9
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.