CID 167467

Oxalinast

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1CC2CC(=O)C3=C(C=CC(=C23)C1)NC(=O)C(=O)O
InChI
InChI=1S/C14H13NO4/c16-10-6-8-3-1-2-7-4-5-9(12(10)11(7)8)15-13(17)14(18)19/h4-5,8H,1-3,6H2,(H,15,17)(H,18,19)
InChIKey
DHMOBVVEHRKNIO-UHFFFAOYSA-N
Compound name
2-oxo-2-[(2-oxo-6,7,8,8a-tetrahydro-1H-acenaphthylen-3-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

259.08447 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 154.9
[M+Na]+ 282.07369 161.1
[M-H]- 258.07719 158.0
[M+NH4]+ 277.11829 174.7
[M+K]+ 298.04763 158.0
[M+H-H2O]+ 242.08173 149.6
[M+HCOO]- 304.08267 172.7
[M+CH3COO]- 318.09832 196.1
[M+Na-2H]- 280.05914 157.6
[M]+ 259.08392 153.4
[M]- 259.08502 153.4
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

patents stripe