CID 3058905

Brn 5080086

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CN1C2=CC=CC=C2C(=O)N(C1=O)N3CCCCC3
InChI
InChI=1S/C14H17N3O2/c1-15-12-8-4-3-7-11(12)13(18)17(14(15)19)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKey
FFOFOMKTGOUCRE-UHFFFAOYSA-N
Compound name
1-methyl-3-piperidin-1-ylquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.13208 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.7
[M+Na]+ 282.12130 168.8
[M-H]- 258.12480 163.1
[M+NH4]+ 277.16590 173.4
[M+K]+ 298.09524 163.9
[M+H-H2O]+ 242.12934 149.7
[M+HCOO]- 304.13028 176.1
[M+CH3COO]- 318.14593 170.7
[M+Na-2H]- 280.10675 164.7
[M]+ 259.13153 157.6
[M]- 259.13263 157.6
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.