CID 3061549

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

Structural Information

Molecular Formula
C18H14Cl2N2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)CC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H14Cl2N2O/c19-15-7-6-13(16(20)10-15)11-18(14-4-2-1-3-5-14)17(23-18)22-9-8-21-12-22/h1-10,12,17H,11H2
InChIKey
NQCPBYSBYHWQCB-UHFFFAOYSA-N
Compound name
1-[3-[(2,4-dichlorophenyl)methyl]-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

344.0483 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05558 174.4
[M+Na]+ 367.03752 186.1
[M-H]- 343.04102 184.4
[M+NH4]+ 362.08212 183.7
[M+K]+ 383.01146 180.4
[M+H-H2O]+ 327.04556 165.2
[M+HCOO]- 389.04650 186.6
[M+CH3COO]- 403.06215 185.4
[M+Na-2H]- 365.02297 177.7
[M]+ 344.04775 181.1
[M]- 344.04885 181.1
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