CID 3007436

Chembl287183

Structural Information

Molecular Formula
C21H19ClN4O
SMILES
CC(C1=CC(=CC=C1)OCC2=CC=C(C=C2)Cl)(N3C=CN=C3)N4C=CN=C4
InChI
InChI=1S/C21H19ClN4O/c1-21(25-11-9-23-15-25,26-12-10-24-16-26)18-3-2-4-20(13-18)27-14-17-5-7-19(22)8-6-17/h2-13,15-16H,14H2,1H3
InChIKey
ZFWULYAEECZVPR-UHFFFAOYSA-N
Compound name
1-[1-[3-[(4-chlorophenyl)methoxy]phenyl]-1-imidazol-1-ylethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.12473 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13201 189.3
[M+Na]+ 401.11395 198.6
[M-H]- 377.11745 197.5
[M+NH4]+ 396.15855 199.2
[M+K]+ 417.08789 191.2
[M+H-H2O]+ 361.12199 177.0
[M+HCOO]- 423.12293 204.8
[M+CH3COO]- 437.13858 199.2
[M+Na-2H]- 399.09940 191.7
[M]+ 378.12418 193.9
[M]- 378.12528 193.9
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.