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]+ 349.15468 187.4
[M+Na]+ 371.13662 196.4
[M-H]- 347.14012 200.5
[M+NH4]+ 366.18122 187.1
[M+K]+ 387.11056 194.0
[M+H-H2O]+ 331.14466 179.0
[M+HCOO]- 393.14560 205.4
[M+CH3COO]- 407.16125 196.0
[M+Na-2H]- 369.12207 187.5
[M]+ 348.14685 194.0
[M]- 348.14795 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.