CID 3071104

87296-61-5

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CN(C)N1C(=O)C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2/c1-18(2)20-16(21)14-10-6-7-11-15(14)19(17(20)22)12-13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKey
UGGBZPXSZYNWMS-UHFFFAOYSA-N
Compound name
1-benzyl-3-(dimethylamino)quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 167.7
[M+Na]+ 318.121298 177.7
[M-H]- 294.124804 174.6
[M+NH4]+ 313.165903 181.8
[M+K]+ 334.095238 173.2
[M+H-H2O]+ 278.129340 157.6
[M+HCOO]- 340.130281 190.3
[M+CH3COO]- 354.145931 209.7
[M+Na-2H]- 316.106746 174.2
[M]+ 295.13153142 171.0
[M]- 295.13262858 171.0
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.