CID 3057678

Thiazolo(5,4-c)isoquinolin-5(4h)-one, 4-butyl-2-methyl-

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CCCCN1C2=C(C3=CC=CC=C3C1=O)N=C(S2)C
InChI
InChI=1S/C15H16N2OS/c1-3-4-9-17-14(18)12-8-6-5-7-11(12)13-15(17)19-10(2)16-13/h5-8H,3-4,9H2,1-2H3
InChIKey
FEABLMGWNUZKJT-UHFFFAOYSA-N
Compound name
4-butyl-2-methyl-[1,3]thiazolo[5,4-c]isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.09833 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 160.4
[M+Na]+ 295.08755 173.6
[M-H]- 271.09105 164.6
[M+NH4]+ 290.13215 179.8
[M+K]+ 311.06149 167.7
[M+H-H2O]+ 255.09559 153.8
[M+HCOO]- 317.09653 177.8
[M+CH3COO]- 331.11218 173.7
[M+Na-2H]- 293.07300 164.1
[M]+ 272.09778 168.1
[M]- 272.09888 168.1
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

patents stripe