CID 504915

2-oxo-n-(3-phenyl-propyl)-n-quinolin-6-yl-succinamic acid

Structural Information

Molecular Formula
C22H20N2O4
SMILES
C1=CC=C(C=C1)CCCN(C2=CC3=C(C=C2)N=CC=C3)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C22H20N2O4/c25-20(22(27)28)15-21(26)24(13-5-8-16-6-2-1-3-7-16)18-10-11-19-17(14-18)9-4-12-23-19/h1-4,6-7,9-12,14H,5,8,13,15H2,(H,27,28)
InChIKey
CRZSPMZUQCCZIS-UHFFFAOYSA-N
Compound name
2,4-dioxo-4-[3-phenylpropyl(quinolin-6-yl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1423 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 188.7
[M+Na]+ 399.13152 192.1
[M-H]- 375.13502 193.7
[M+NH4]+ 394.17612 198.4
[M+K]+ 415.10546 188.5
[M+H-H2O]+ 359.13956 178.4
[M+HCOO]- 421.14050 206.9
[M+CH3COO]- 435.15615 221.1
[M+Na-2H]- 397.11697 191.1
[M]+ 376.14175 190.2
[M]- 376.14285 190.2
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.