CID 11500273

1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1h-imidazole

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
C1COC(O1)(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3
InChI
InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
InChIKey
NPIOYRIZNLPLDH-UHFFFAOYSA-N
Compound name
1-[[2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

292.09787 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 165.4
[M+Na]+ 315.08709 173.2
[M-H]- 291.09059 173.2
[M+NH4]+ 310.13169 181.1
[M+K]+ 331.06103 170.7
[M+H-H2O]+ 275.09513 157.2
[M+HCOO]- 337.09607 180.6
[M+CH3COO]- 351.11172 177.1
[M+Na-2H]- 313.07254 168.3
[M]+ 292.09732 168.5
[M]- 292.09842 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe