CID 3071109

87296-69-3

Structural Information

Molecular Formula
C14H16ClN3O2
SMILES
CN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)N3CCCCC3
InChI
InChI=1S/C14H16ClN3O2/c1-16-12-9-10(15)5-6-11(12)13(19)18(14(16)20)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3
InChIKey
OJISLNSOQWOMNH-UHFFFAOYSA-N
Compound name
7-chloro-1-methyl-3-piperidin-1-ylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0931 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10038 165.6
[M+Na]+ 316.08232 176.2
[M-H]- 292.08582 169.1
[M+NH4]+ 311.12692 179.1
[M+K]+ 332.05626 170.0
[M+H-H2O]+ 276.09036 156.1
[M+HCOO]- 338.09130 177.2
[M+CH3COO]- 352.10695 176.5
[M+Na-2H]- 314.06777 169.4
[M]+ 293.09255 166.0
[M]- 293.09365 166.0
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.