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 146.7
[M+Na]+ 253.04061 161.3
[M-H]- 229.04411 151.5
[M+NH4]+ 248.08521 167.9
[M+K]+ 269.01455 156.1
[M+H-H2O]+ 213.04865 140.7
[M+HCOO]- 275.04959 165.1
[M+CH3COO]- 289.06524 161.3
[M+Na-2H]- 251.02606 151.9
[M]+ 230.05084 153.5
[M]- 230.05194 153.5
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