CID 3007511

Chembl26902

Structural Information

Molecular Formula
C21H22N2O
SMILES
CC1=CC=C(C=C1)COC2=CC=CC=C2C(=C(C)C)N3C=CN=C3
InChI
InChI=1S/C21H22N2O/c1-16(2)21(23-13-12-22-15-23)19-6-4-5-7-20(19)24-14-18-10-8-17(3)9-11-18/h4-13,15H,14H2,1-3H3
InChIKey
ALIRPAWULSNGPC-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[2-[(4-methylphenyl)methoxy]phenyl]prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.17322 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 178.4
[M+Na]+ 341.16244 184.6
[M-H]- 317.16594 185.3
[M+NH4]+ 336.20704 191.2
[M+K]+ 357.13638 179.2
[M+H-H2O]+ 301.17048 168.1
[M+HCOO]- 363.17142 198.2
[M+CH3COO]- 377.18707 208.4
[M+Na-2H]- 339.14789 178.5
[M]+ 318.17267 179.1
[M]- 318.17377 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.