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]+ 357.108106 178.9
[M+Na]+ 379.090048 188.2
[M-H]- 355.093554 184.6
[M+NH4]+ 374.134653 191.9
[M+K]+ 395.063988 185.1
[M+H-H2O]+ 339.098090 170.4
[M+HCOO]- 401.099031 197.6
[M+CH3COO]- 415.114681 214.7
[M+Na-2H]- 377.075496 178.5
[M]+ 356.10028142 184.5
[M]- 356.10137858 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.