CID 3053159

69557-31-9

Structural Information

Molecular Formula
C17H14N4O3S
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3CCC(=O)N(C3=O)C4=NC=CS4
InChI
InChI=1S/C17H14N4O3S/c1-10-19-12-5-3-2-4-11(12)15(23)20(10)13-6-7-14(22)21(16(13)24)17-18-8-9-25-17/h2-5,8-9,13H,6-7H2,1H3
InChIKey
NNNRVZNXDUKMSI-UHFFFAOYSA-N
Compound name
3-(2-methyl-4-oxoquinazolin-3-yl)-1-(1,3-thiazol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07867 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08595 181.2
[M+Na]+ 377.06789 197.1
[M+NH4]+ 372.11249 187.8
[M+K]+ 393.04183 189.8
[M-H]- 353.07139 185.0
[M+Na-2H]- 375.05334 188.3
[M]+ 354.07812 185.0
[M]- 354.07922 185.0
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.