CID 3059774

1-propanone, 1-(1,1'-biphenyl)-4-yl-2-(1h-imidazol-1-yl)-2-methyl-, monohydrochloride

Structural Information

Molecular Formula
C19H18N2O
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C19H18N2O/c1-19(2,21-13-12-20-14-21)18(22)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKey
BZAAAOIJBYQFMB-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-2-methyl-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

290.1419 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 169.3
[M+Na]+ 313.13112 184.0
[M+NH4]+ 308.17572 177.2
[M+K]+ 329.10506 178.2
[M-H]- 289.13462 174.0
[M+Na-2H]- 311.11657 180.0
[M]+ 290.14135 172.9
[M]- 290.14245 172.9
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

patents stripe