CID 3061560

1-(3-(2,4-dimethylphenyl)-3-phenyloxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C19H18N2O
SMILES
CC1=CC(=C(C=C1)C2(C(O2)N3C=CN=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C19H18N2O/c1-14-8-9-17(15(2)12-14)19(16-6-4-3-5-7-16)18(22-19)21-11-10-20-13-21/h3-13,18H,1-2H3
InChIKey
LAMLPZDSKUVFPE-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dimethylphenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.149176 168.6
[M+Na]+ 313.131118 179.9
[M-H]- 289.134624 180.4
[M+NH4]+ 308.175723 179.1
[M+K]+ 329.105058 176.1
[M+H-H2O]+ 273.139160 159.5
[M+HCOO]- 335.140101 190.4
[M+CH3COO]- 349.155751 180.9
[M+Na-2H]- 311.116566 173.0
[M]+ 290.14135142 172.9
[M]- 290.14244858 172.9
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