CID 3007512

Chembl28693

Structural Information

Molecular Formula
C21H21ClN2O
SMILES
CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C(=C(C)C)N3C=CN=C3
InChI
InChI=1S/C21H21ClN2O/c1-15(2)21(24-11-10-23-14-24)19-12-18(22)8-9-20(19)25-13-17-6-4-16(3)5-7-17/h4-12,14H,13H2,1-3H3
InChIKey
XKTAAOWQASKLQI-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-2-methylprop-1-enyl]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 185.2
[M+Na]+ 375.12347 193.1
[M-H]- 351.12697 192.1
[M+NH4]+ 370.16807 197.8
[M+K]+ 391.09741 186.0
[M+H-H2O]+ 335.13151 175.2
[M+HCOO]- 397.13245 200.3
[M+CH3COO]- 411.14810 195.3
[M+Na-2H]- 373.10892 184.0
[M]+ 352.13370 188.6
[M]- 352.13480 188.6
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.