CID 389352

Nsc685355

Structural Information

Molecular Formula
C19H16N2O5
SMILES
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H16N2O5/c1-25-16-10-13(9-14-17(22)20-19(24)21-18(14)23)7-8-15(16)26-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,20,21,22,23,24)
InChIKey
IXHLBDPSFLWTFZ-UHFFFAOYSA-N
Compound name
5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.10593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 182.0
[M+Na]+ 375.09515 188.8
[M-H]- 351.09865 186.2
[M+NH4]+ 370.13975 190.2
[M+K]+ 391.06909 182.5
[M+H-H2O]+ 335.10319 171.6
[M+HCOO]- 397.10413 197.5
[M+CH3COO]- 411.11978 207.8
[M+Na-2H]- 373.08060 182.6
[M]+ 352.10538 179.3
[M]- 352.10648 179.3
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

No patent data available for this compound.