CID 3061572

1-(3-(2-chlorophenyl)-3-(3-methoxyphenyl)oxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
COC1=CC=CC(=C1)C2(C(O2)N3C=CN=C3)C4=CC=CC=C4Cl
InChI
InChI=1S/C18H15ClN2O2/c1-22-14-6-4-5-13(11-14)18(15-7-2-3-8-16(15)19)17(23-18)21-10-9-20-12-21/h2-12,17H,1H3
InChIKey
BXNYWQXQFMZVPG-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-(3-methoxyphenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

326.0822 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 173.5
[M+Na]+ 349.07142 185.3
[M-H]- 325.07492 184.9
[M+NH4]+ 344.11602 183.1
[M+K]+ 365.04536 180.8
[M+H-H2O]+ 309.07946 164.4
[M+HCOO]- 371.08040 191.0
[M+CH3COO]- 385.09605 185.3
[M+Na-2H]- 347.05687 177.7
[M]+ 326.08165 180.6
[M]- 326.08275 180.6
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