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

3
Patents

290.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 168.6
[M+Na]+ 313.13112 179.9
[M-H]- 289.13462 180.4
[M+NH4]+ 308.17572 179.1
[M+K]+ 329.10506 176.1
[M+H-H2O]+ 273.13916 159.5
[M+HCOO]- 335.14010 190.4
[M+CH3COO]- 349.15575 180.9
[M+Na-2H]- 311.11657 173.0
[M]+ 290.14135 172.9
[M]- 290.14245 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