CID 17586439

919730-65-7

Structural Information

Molecular Formula
C16H12N2O4
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NCC(=O)O
InChI
InChI=1S/C16H12N2O4/c19-14(20)9-17-16(21)11-6-7-13-12(8-11)15(22-18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,21)(H,19,20)
InChIKey
KLMJONZBTRFVFL-UHFFFAOYSA-N
Compound name
2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0797 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08698 165.5
[M+Na]+ 319.06892 178.4
[M+NH4]+ 314.11352 171.9
[M+K]+ 335.04286 175.0
[M-H]- 295.07242 169.4
[M+Na-2H]- 317.05437 172.0
[M]+ 296.07915 168.2
[M]- 296.08025 168.2
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.