CID 207436

30060-41-4

Structural Information

Molecular Formula
C17H16N2O3
SMILES
C1C(N(C(=O)NC1=O)OCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O3/c20-16-11-15(14-9-5-2-6-10-14)19(17(21)18-16)22-12-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,18,20,21)
InChIKey
ZGHOREVAYIFDLS-UHFFFAOYSA-N
Compound name
6-phenyl-1-phenylmethoxy-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.123376 168.8
[M+Na]+ 319.105318 174.9
[M-H]- 295.108824 173.9
[M+NH4]+ 314.149923 179.8
[M+K]+ 335.079258 169.5
[M+H-H2O]+ 279.113360 158.3
[M+HCOO]- 341.114301 185.8
[M+CH3COO]- 355.129951 199.1
[M+Na-2H]- 317.090766 172.1
[M]+ 296.11555142 165.0
[M]- 296.11664858 165.0
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.