CID 54685215

Iox2

Structural Information

Molecular Formula
C19H16N2O5
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)NCC(=O)O)O
InChI
InChI=1S/C19H16N2O5/c22-15(23)10-20-18(25)16-17(24)13-8-4-5-9-14(13)21(19(16)26)11-12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,20,25)(H,22,23)
InChIKey
CAOSCCRYLYQBES-UHFFFAOYSA-N
Compound name
2-[(1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

163
Patents

352.10593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 180.4
[M+Na]+ 375.09515 193.1
[M+NH4]+ 370.13975 185.4
[M+K]+ 391.06909 187.7
[M-H]- 351.09865 182.5
[M+Na-2H]- 373.08060 186.0
[M]+ 352.10538 182.5
[M]- 352.10648 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe