CID 3078197

1,3-bis-oxiranylmethyl-4,5-diphenyl-1,3-dihydro-imidazol-2-one

Structural Information

Molecular Formula
C21H20N2O3
SMILES
C1C(O1)CN2C(=C(N(C2=O)CC3CO3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C21H20N2O3/c24-21-22(11-17-13-25-17)19(15-7-3-1-4-8-15)20(16-9-5-2-6-10-16)23(21)12-18-14-26-18/h1-10,17-18H,11-14H2
InChIKey
VITLEIWKDUORIO-UHFFFAOYSA-N
Compound name
1,3-bis(oxiran-2-ylmethyl)-4,5-diphenylimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 187.4
[M+Na]+ 371.136618 196.4
[M-H]- 347.140124 200.5
[M+NH4]+ 366.181223 187.1
[M+K]+ 387.110558 194.0
[M+H-H2O]+ 331.144660 179.0
[M+HCOO]- 393.145601 205.4
[M+CH3COO]- 407.161251 196.0
[M+Na-2H]- 369.122066 187.5
[M]+ 348.14685142 194.0
[M]- 348.14794858 194.0
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

No patent data available for this compound.