CID 3007489

Chembl285318

Structural Information

Molecular Formula
C21H21ClN2O
SMILES
CCCC(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=C)N3C=CN=C3
InChI
InChI=1S/C21H21ClN2O/c1-3-7-20(17-8-5-4-6-9-17)25-21-11-10-18(22)14-19(21)16(2)24-13-12-23-15-24/h4-6,8-15,20H,2-3,7H2,1H3
InChIKey
CCICQPYJDAUYAF-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(1-phenylbutoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.13425 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14153 185.0
[M+Na]+ 375.12347 191.9
[M-H]- 351.12697 191.5
[M+NH4]+ 370.16807 197.2
[M+K]+ 391.09741 184.8
[M+H-H2O]+ 335.13151 174.7
[M+HCOO]- 397.13245 200.1
[M+CH3COO]- 411.14810 194.7
[M+Na-2H]- 373.10892 184.6
[M]+ 352.13370 188.0
[M]- 352.13480 188.0
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.