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]+ 390.17000 194.3
[M+Na]+ 412.15194 196.8
[M-H]- 388.15544 200.3
[M+NH4]+ 407.19654 204.8
[M+K]+ 428.12588 193.1
[M+H-H2O]+ 372.15998 184.5
[M+HCOO]- 434.16092 213.1
[M+CH3COO]- 448.17657 224.3
[M+Na-2H]- 410.13739 195.2
[M]+ 389.16217 195.9
[M]- 389.16327 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.