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]+ 296.13936 167.7
[M+Na]+ 318.12130 177.7
[M-H]- 294.12480 174.6
[M+NH4]+ 313.16590 181.8
[M+K]+ 334.09524 173.2
[M+H-H2O]+ 278.12934 157.6
[M+HCOO]- 340.13028 190.3
[M+CH3COO]- 354.14593 209.7
[M+Na-2H]- 316.10675 174.2
[M]+ 295.13153 171.0
[M]- 295.13263 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.