CID 3057676

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

Structural Information

Molecular Formula
C12H10N2OS
SMILES
CC1=NC2=C(S1)N(C(=O)C3=CC=CC=C32)C
InChI
InChI=1S/C12H10N2OS/c1-7-13-10-8-5-3-4-6-9(8)11(15)14(2)12(10)16-7/h3-6H,1-2H3
InChIKey
NJLCNUQPOVVDAG-UHFFFAOYSA-N
Compound name
2,4-dimethyl-[1,3]thiazolo[5,4-c]isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

230.05139 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 147.9
[M+Na]+ 253.04061 164.3
[M+NH4]+ 248.08521 157.9
[M+K]+ 269.01455 156.0
[M-H]- 229.04411 150.9
[M+Na-2H]- 251.02606 154.5
[M]+ 230.05084 151.8
[M]- 230.05194 151.8
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