CID 265317

2-(4-methyl-1,3-thiazol-2-yl)-1h-benzo(de)isoquinoline-1,3(2h)-dione

Structural Information

Molecular Formula
C16H10N2O2S
SMILES
CC1=CSC(=N1)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O
InChI
InChI=1S/C16H10N2O2S/c1-9-8-21-16(17-9)18-14(19)11-6-2-4-10-5-3-7-12(13(10)11)15(18)20/h2-8H,1H3
InChIKey
VDEZASNMOGDXAY-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-2-yl)benzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0463 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.05358 165.2
[M+Na]+ 317.03552 178.0
[M-H]- 293.03902 171.9
[M+NH4]+ 312.08012 183.2
[M+K]+ 333.00946 172.0
[M+H-H2O]+ 277.04356 157.9
[M+HCOO]- 339.04450 181.2
[M+CH3COO]- 353.06015 178.0
[M+Na-2H]- 315.02097 168.7
[M]+ 294.04575 170.8
[M]- 294.04685 170.8
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

No patent data available for this compound.