CID 135416869

4,6(1h,5h)-pyrimidinedione, 2-(benzylamino)-5-phenyl-

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1=CC=C(C=C1)CN=C2NC(=O)C(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O2/c21-15-14(13-9-5-2-6-10-13)16(22)20-17(19-15)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,18,19,20,21,22)
InChIKey
NYFHQZLOPZISLZ-UHFFFAOYSA-N
Compound name
2-benzylimino-5-phenyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 168.6
[M+Na]+ 316.105638 174.3
[M-H]- 292.109144 173.6
[M+NH4]+ 311.150243 179.4
[M+K]+ 332.079578 167.6
[M+H-H2O]+ 276.113680 158.1
[M+HCOO]- 338.114621 186.7
[M+CH3COO]- 352.130271 177.9
[M+Na-2H]- 314.091086 172.4
[M]+ 293.11587142 162.0
[M]- 293.11696858 162.0
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.