CID 389356

Nsc685360

Structural Information

Molecular Formula
C19H18N2O5
SMILES
COC1=C(C=CC(=C1)CC2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O5/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/h2-8,10,14H,9,11H2,1H3,(H2,20,21,22,23,24)
InChIKey
LQWPMFMGUCJIFV-UHFFFAOYSA-N
Compound name
5-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12158 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12886 182.8
[M+Na]+ 377.11080 189.1
[M-H]- 353.11430 186.9
[M+NH4]+ 372.15540 190.8
[M+K]+ 393.08474 183.5
[M+H-H2O]+ 337.11884 172.2
[M+HCOO]- 399.11978 198.0
[M+CH3COO]- 413.13543 209.1
[M+Na-2H]- 375.09625 183.4
[M]+ 354.12103 180.8
[M]- 354.12213 180.8
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.