CID 194595

Enoxamast

Structural Information

Molecular Formula
C13H10N2O5S
SMILES
C1COC2=C(O1)C=CC(=C2)C3=CSC(=N3)NC(=O)C(=O)O
InChI
InChI=1S/C13H10N2O5S/c16-11(12(17)18)15-13-14-8(6-21-13)7-1-2-9-10(5-7)20-4-3-19-9/h1-2,5-6H,3-4H2,(H,17,18)(H,14,15,16)
InChIKey
VKPNJGFKWYNJJG-UHFFFAOYSA-N
Compound name
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

53
Patents

306.03104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.038316 164.6
[M+Na]+ 329.020258 171.6
[M-H]- 305.023764 171.2
[M+NH4]+ 324.064863 177.5
[M+K]+ 344.994198 170.9
[M+H-H2O]+ 289.028300 158.2
[M+HCOO]- 351.029241 178.2
[M+CH3COO]- 365.044891 175.7
[M+Na-2H]- 327.005706 167.7
[M]+ 306.03049142 167.0
[M]- 306.03158858 167.0
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