CID 3066115

F 2875

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)COC(=O)CN3C=CN=C3)Cl
InChI
InChI=1S/C18H15ClN2O2/c19-17-4-2-1-3-16(17)15-7-5-14(6-8-15)12-23-18(22)11-21-10-9-20-13-21/h1-10,13H,11-12H2
InChIKey
LYYNCOPYBGZAFI-UHFFFAOYSA-N
Compound name
[4-(2-chlorophenyl)phenyl]methyl 2-imidazol-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.0822 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 174.8
[M+Na]+ 349.07142 183.3
[M-H]- 325.07492 181.8
[M+NH4]+ 344.11602 188.2
[M+K]+ 365.04536 177.0
[M+H-H2O]+ 309.07946 164.9
[M+HCOO]- 371.08040 192.1
[M+CH3COO]- 385.09605 185.9
[M+Na-2H]- 347.05687 177.1
[M]+ 326.08165 178.7
[M]- 326.08275 178.7
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

No patent data available for this compound.