CID 49767201

(1s)-1-[(3r)-3-(2,4-dichlorophenoxy)-3-(p-tolyl)propyl]imidazole

Structural Information

Molecular Formula
C19H18Cl2N2O
SMILES
CC1=CC=C(C=C1)[C@@H](CCN2C=CN=C2)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O/c1-14-2-4-15(5-3-14)18(8-10-23-11-9-22-13-23)24-19-7-6-16(20)12-17(19)21/h2-7,9,11-13,18H,8,10H2,1H3/t18-/m1/s1
InChIKey
PLELFTRFMQYUIS-GOSISDBHSA-N
Compound name
1-[(3R)-3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.07962 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08690 183.0
[M+Na]+ 383.06884 192.0
[M-H]- 359.07234 189.1
[M+NH4]+ 378.11344 195.8
[M+K]+ 399.04278 184.4
[M+H-H2O]+ 343.07688 173.2
[M+HCOO]- 405.07782 194.3
[M+CH3COO]- 419.09347 193.1
[M+Na-2H]- 381.05429 183.2
[M]+ 360.07907 188.2
[M]- 360.08017 188.2
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

No patent data available for this compound.