CID 510752

2,4-dioxo-4-[3-(phenethylcarbamoylamino)phenyl]butanoic acid

Structural Information

Molecular Formula
C19H18N2O5
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CC=CC(=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C19H18N2O5/c22-16(12-17(23)18(24)25)14-7-4-8-15(11-14)21-19(26)20-10-9-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,24,25)(H2,20,21,26)
InChIKey
LSBULYZBEJXFCP-UHFFFAOYSA-N
Compound name
2,4-dioxo-4-[3-(2-phenylethylcarbamoylamino)phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12158 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 182.0
[M+Na]+ 377.11080 184.5
[M-H]- 353.11430 186.5
[M+NH4]+ 372.15540 192.2
[M+K]+ 393.08474 181.8
[M+H-H2O]+ 337.11884 172.9
[M+HCOO]- 399.11978 202.9
[M+CH3COO]- 413.13543 215.6
[M+Na-2H]- 375.09625 182.5
[M]+ 354.12103 181.5
[M]- 354.12213 181.5
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.