CID 3061550

79478-41-4

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)16(20-17)19-12-11-18-13-19/h1-13,16H
InChIKey
LPIODRBNQNYRBK-UHFFFAOYSA-N
Compound name
1-(3,3-diphenyloxiran-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.11063 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 160.2
[M+Na]+ 285.099848 170.5
[M-H]- 261.103354 171.6
[M+NH4]+ 280.144453 171.2
[M+K]+ 301.073788 167.4
[M+H-H2O]+ 245.107890 150.9
[M+HCOO]- 307.108831 182.7
[M+CH3COO]- 321.124481 172.5
[M+Na-2H]- 283.085296 166.9
[M]+ 262.11008142 162.9
[M]- 262.11117858 162.9
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

patents stripe