CID 213996

27506-80-5

Structural Information

Molecular Formula
C21H20N2O6
SMILES
CC(=O)OCN1C(=O)C(N(C1=O)COC(=O)C)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H20N2O6/c1-15(24)28-13-22-19(26)21(17-9-5-3-6-10-17,18-11-7-4-8-12-18)23(20(22)27)14-29-16(2)25/h3-12H,13-14H2,1-2H3
InChIKey
AQFJQENRDDSDQY-UHFFFAOYSA-N
Compound name
[3-(acetyloxymethyl)-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.13214 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.13942 189.7
[M+Na]+ 419.12136 196.7
[M-H]- 395.12486 197.2
[M+NH4]+ 414.16596 201.2
[M+K]+ 435.09530 193.9
[M+H-H2O]+ 379.12940 180.3
[M+HCOO]- 441.13034 208.2
[M+CH3COO]- 455.14599 218.9
[M+Na-2H]- 417.10681 188.8
[M]+ 396.13159 193.8
[M]- 396.13269 193.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe