CID 54683832

Stk833718

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC=CS3)O
InChI
InChI=1S/C18H19N3O3S/c1-2-3-6-10-21-13-8-5-4-7-12(13)15(22)14(17(21)24)16(23)20-18-19-9-11-25-18/h4-5,7-9,11,22H,2-3,6,10H2,1H3,(H,19,20,23)
InChIKey
RTKIHXNWFKTPMQ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-1-pentyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.11472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 182.3
[M+Na]+ 380.10394 191.9
[M-H]- 356.10744 187.0
[M+NH4]+ 375.14854 195.3
[M+K]+ 396.07788 185.6
[M+H-H2O]+ 340.11198 174.2
[M+HCOO]- 402.11292 199.2
[M+CH3COO]- 416.12857 212.3
[M+Na-2H]- 378.08939 183.5
[M]+ 357.11417 188.4
[M]- 357.11527 188.4
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.