CID 52758

73931-88-1

Structural Information

Molecular Formula
C19H18N2O
SMILES
C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C19H18N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15H,6-7,14H2
InChIKey
FHCUFTBEPZKVMR-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
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 169.0
[M+Na]+ 313.13112 175.5
[M-H]- 289.13462 175.7
[M+NH4]+ 308.17572 182.7
[M+K]+ 329.10506 169.9
[M+H-H2O]+ 273.13916 158.7
[M+HCOO]- 335.14010 190.5
[M+CH3COO]- 349.15575 179.9
[M+Na-2H]- 311.11657 172.1
[M]+ 290.14135 169.3
[M]- 290.14245 169.3
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