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
1
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]+ 307.03832 164.6
[M+Na]+ 329.02026 171.6
[M-H]- 305.02376 171.2
[M+NH4]+ 324.06486 177.5
[M+K]+ 344.99420 170.9
[M+H-H2O]+ 289.02830 158.2
[M+HCOO]- 351.02924 178.2
[M+CH3COO]- 365.04489 175.7
[M+Na-2H]- 327.00571 167.7
[M]+ 306.03049 167.0
[M]- 306.03159 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.