CID 54682061

300716-43-2

Structural Information

Molecular Formula
C19H15N3O3S
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC4=CC=CC=C4S3)O
InChI
InChI=1S/C19H15N3O3S/c1-2-22-13-9-5-3-7-11(13)16(23)15(18(22)25)17(24)21-19-20-12-8-4-6-10-14(12)26-19/h3-10,23H,2H2,1H3,(H,20,21,24)
InChIKey
ADARCKJODGRFRF-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

365.0834 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09068 182.7
[M+Na]+ 388.07262 194.1
[M-H]- 364.07612 188.9
[M+NH4]+ 383.11722 196.4
[M+K]+ 404.04656 187.4
[M+H-H2O]+ 348.08066 175.0
[M+HCOO]- 410.08160 199.0
[M+CH3COO]- 424.09725 193.7
[M+Na-2H]- 386.05807 186.2
[M]+ 365.08285 188.6
[M]- 365.08395 188.6
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