CID 6479462

1-[(z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]but-1-enyl]imidazole

Structural Information

Molecular Formula
C20H18Cl2N2O
SMILES
CC/C=C(/C1=C(C=CC(=C1)Cl)OCC2=CC=C(C=C2)Cl)\N3C=CN=C3
InChI
InChI=1S/C20H18Cl2N2O/c1-2-3-19(24-11-10-23-14-24)18-12-17(22)8-9-20(18)25-13-15-4-6-16(21)7-5-15/h3-12,14H,2,13H2,1H3/b19-3-
InChIKey
ABILNPRIFQLNTF-OQOIWIOPSA-N
Compound name
1-[(Z)-1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]but-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.07962 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08690 187.4
[M+Na]+ 395.06884 196.3
[M-H]- 371.07234 193.4
[M+NH4]+ 390.11344 199.7
[M+K]+ 411.04278 187.8
[M+H-H2O]+ 355.07688 177.4
[M+HCOO]- 417.07782 198.4
[M+CH3COO]- 431.09347 197.1
[M+Na-2H]- 393.05429 186.9
[M]+ 372.07907 192.1
[M]- 372.08017 192.1
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.