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]+ 297.12338 168.8
[M+Na]+ 319.10532 174.9
[M-H]- 295.10882 173.9
[M+NH4]+ 314.14992 179.8
[M+K]+ 335.07926 169.5
[M+H-H2O]+ 279.11336 158.3
[M+HCOO]- 341.11430 185.8
[M+CH3COO]- 355.12995 199.1
[M+Na-2H]- 317.09077 172.1
[M]+ 296.11555 165.0
[M]- 296.11665 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.