CID 58522

101564-81-2

Structural Information

Molecular Formula
C18H16N2O6
SMILES
CCOC(=O)CN1C(=O)C(=O)N(C1=O)C2=CC=C(C3=CC=CC=C32)OC
InChI
InChI=1S/C18H16N2O6/c1-3-26-15(21)10-19-16(22)17(23)20(18(19)24)13-8-9-14(25-2)12-7-5-4-6-11(12)13/h4-9H,3,10H2,1-2H3
InChIKey
QLYJIGRAKDGNNG-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-methoxynaphthalen-1-yl)-2,4,5-trioxoimidazolidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10083 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10811 178.9
[M+Na]+ 379.09005 188.2
[M-H]- 355.09355 184.6
[M+NH4]+ 374.13465 191.9
[M+K]+ 395.06399 185.1
[M+H-H2O]+ 339.09809 170.4
[M+HCOO]- 401.09903 197.6
[M+CH3COO]- 415.11468 214.7
[M+Na-2H]- 377.07550 178.5
[M]+ 356.10028 184.5
[M]- 356.10138 184.5
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.