CID 6445057

Brn 1166103

Structural Information

Molecular Formula
C17H21N3O3
SMILES
CC1(C(=O)N(C(=O)N1)CN2CCOCC2)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O3/c1-17(8-7-14-5-3-2-4-6-14)15(21)20(16(22)18-17)13-19-9-11-23-12-10-19/h2-8H,9-13H2,1H3,(H,18,22)/b8-7+
InChIKey
MIIYGUMAEDJBJA-BQYQJAHWSA-N
Compound name
5-methyl-3-(morpholin-4-ylmethyl)-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 175.8
[M+Na]+ 338.14752 181.3
[M-H]- 314.15102 179.9
[M+NH4]+ 333.19212 187.2
[M+K]+ 354.12146 177.0
[M+H-H2O]+ 298.15556 165.9
[M+HCOO]- 360.15650 188.8
[M+CH3COO]- 374.17215 200.7
[M+Na-2H]- 336.13297 175.8
[M]+ 315.15775 170.8
[M]- 315.15885 170.8
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.