CID 54710348

Stl149289

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC=C(S3)C)O
InChI
InChI=1S/C19H21N3O3S/c1-3-4-7-10-22-14-9-6-5-8-13(14)16(23)15(18(22)25)17(24)21-19-20-11-12(2)26-19/h5-6,8-9,11,23H,3-4,7,10H2,1-2H3,(H,20,21,24)
InChIKey
ZFNJOYZUFSWKOM-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.13037 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 187.1
[M+Na]+ 394.11959 197.1
[M-H]- 370.12309 192.1
[M+NH4]+ 389.16419 199.8
[M+K]+ 410.09353 190.6
[M+H-H2O]+ 354.12763 179.0
[M+HCOO]- 416.12857 203.6
[M+CH3COO]- 430.14422 216.5
[M+Na-2H]- 392.10504 187.2
[M]+ 371.12982 194.0
[M]- 371.13092 194.0
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

No patent data available for this compound.