CID 135416869

Brn 0924392

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]+ 294.12370 168.6
[M+Na]+ 316.10564 174.3
[M-H]- 292.10914 173.6
[M+NH4]+ 311.15024 179.4
[M+K]+ 332.07958 167.6
[M+H-H2O]+ 276.11368 158.1
[M+HCOO]- 338.11462 186.7
[M+CH3COO]- 352.13027 177.9
[M+Na-2H]- 314.09109 172.4
[M]+ 293.11587 162.0
[M]- 293.11697 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.