CID 504906

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

Structural Information

Molecular Formula
C24H23NO4
SMILES
C1=CC=C(C=C1)CCCN(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C24H23NO4/c26-22(24(28)29)16-23(27)25(14-6-9-18-7-2-1-3-8-18)17-19-12-13-20-10-4-5-11-21(20)15-19/h1-5,7-8,10-13,15H,6,9,14,16-17H2,(H,28,29)
InChIKey
AGNKEZAVBPCWQP-UHFFFAOYSA-N
Compound name
4-[naphthalen-2-ylmethyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16272 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.169996 194.3
[M+Na]+ 412.151938 196.8
[M-H]- 388.155444 200.3
[M+NH4]+ 407.196543 204.8
[M+K]+ 428.125878 193.1
[M+H-H2O]+ 372.159980 184.5
[M+HCOO]- 434.160921 213.1
[M+CH3COO]- 448.176571 224.3
[M+Na-2H]- 410.137386 195.2
[M]+ 389.16217142 195.9
[M]- 389.16326858 195.9
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.