CID 393169

Nsc 694623

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3
InChI
InChI=1S/C16H16N2OS/c1-2-3-5-12-7-9-13(10-8-12)18-16(19)14-6-4-11-17-15(14)20-18/h4,6-11H,2-3,5H2,1H3
InChIKey
XNGPPEMGIZDPGJ-UHFFFAOYSA-N
Compound name
2-(4-butylphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

284.09833 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 163.8
[M+Na]+ 307.08755 175.8
[M-H]- 283.09105 170.0
[M+NH4]+ 302.13215 181.1
[M+K]+ 323.06149 169.5
[M+H-H2O]+ 267.09559 156.0
[M+HCOO]- 329.09653 182.5
[M+CH3COO]- 343.11218 176.7
[M+Na-2H]- 305.07300 166.8
[M]+ 284.09778 170.0
[M]- 284.09888 170.0
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.