CID 162728919

Schembl25346884

Structural Information

Molecular Formula
C14H12BrN3O3
SMILES
CC1=NC2=C(C(=CC=C2)Br)C(=O)N1C3CCC(=O)NC3=O
InChI
InChI=1S/C14H12BrN3O3/c1-7-16-9-4-2-3-8(15)12(9)14(21)18(7)10-5-6-11(19)17-13(10)20/h2-4,10H,5-6H2,1H3,(H,17,19,20)
InChIKey
ZBRNPHSCXFXSIP-UHFFFAOYSA-N
Compound name
3-(5-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

349.0062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.01348 168.5
[M+Na]+ 371.99542 181.1
[M-H]- 347.99892 173.8
[M+NH4]+ 367.04002 182.2
[M+K]+ 387.96936 168.1
[M+H-H2O]+ 332.00346 166.3
[M+HCOO]- 394.00440 181.7
[M+CH3COO]- 408.02005 180.6
[M+Na-2H]- 369.98087 173.0
[M]+ 349.00565 185.0
[M]- 349.00675 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

patents stripe