CID 24967232

1015474-24-4

Structural Information

Molecular Formula
C14H12FN3O3
SMILES
CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3CCC(=O)NC3=O
InChI
InChI=1S/C14H12FN3O3/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
WPDNSBXGCLUYOK-UHFFFAOYSA-N
Compound name
3-(5-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

289.08627 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09355 165.6
[M+Na]+ 312.07549 176.2
[M-H]- 288.07899 167.1
[M+NH4]+ 307.12009 177.6
[M+K]+ 328.04943 170.1
[M+H-H2O]+ 272.08353 155.3
[M+HCOO]- 334.08447 179.6
[M+CH3COO]- 348.10012 200.6
[M+Na-2H]- 310.06094 168.2
[M]+ 289.08572 162.3
[M]- 289.08682 162.3
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