CID 483130

7-(2-acetamidothiazol-4-yl)-1-ethyl-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H15N3O4S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C)C(=O)O
InChI
InChI=1S/C17H15N3O4S/c1-3-20-7-12(16(23)24)15(22)11-5-4-10(6-14(11)20)13-8-25-17(19-13)18-9(2)21/h4-8H,3H2,1-2H3,(H,23,24)(H,18,19,21)
InChIKey
MUIIYSWCVNVQTD-UHFFFAOYSA-N
Compound name
7-(2-acetamido-1,3-thiazol-4-yl)-1-ethyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07834 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08562 180.7
[M+Na]+ 380.06756 191.2
[M-H]- 356.07106 186.2
[M+NH4]+ 375.11216 193.6
[M+K]+ 396.04150 185.9
[M+H-H2O]+ 340.07560 173.2
[M+HCOO]- 402.07654 197.1
[M+CH3COO]- 416.09219 213.1
[M+Na-2H]- 378.05301 181.0
[M]+ 357.07779 187.1
[M]- 357.07889 187.1
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.