CID 367143

Nsc636601

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C(=O)NC(=O)NC3=O
InChI
InChI=1S/C17H12N2O3/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)
InChIKey
DLURFPXTOYDCFS-UHFFFAOYSA-N
Compound name
5-[(4-phenylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.08478 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 167.9
[M+Na]+ 315.07400 175.2
[M-H]- 291.07750 172.1
[M+NH4]+ 310.11860 178.5
[M+K]+ 331.04794 167.8
[M+H-H2O]+ 275.08204 158.2
[M+HCOO]- 337.08298 183.8
[M+CH3COO]- 351.09863 177.4
[M+Na-2H]- 313.05945 170.0
[M]+ 292.08423 161.3
[M]- 292.08533 161.3
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

patents stripe