CID 3064992

106147-71-1

Structural Information

Molecular Formula
C21H24N2O
SMILES
CCCC(C1=CN=CN1)(C(C2=CC=CC=C2)C3=CC=CC=C3)OC
InChI
InChI=1S/C21H24N2O/c1-3-14-21(24-2,19-15-22-16-23-19)20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,15-16,20H,3,14H2,1-2H3,(H,22,23)
InChIKey
UCJKAZHIPMERPB-UHFFFAOYSA-N
Compound name
5-(2-methoxy-1,1-diphenylpentan-2-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

320.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 179.0
[M+Na]+ 343.17809 183.2
[M-H]- 319.18159 183.9
[M+NH4]+ 338.22269 190.6
[M+K]+ 359.15203 177.5
[M+H-H2O]+ 303.18613 168.9
[M+HCOO]- 365.18707 196.4
[M+CH3COO]- 379.20272 204.7
[M+Na-2H]- 341.16354 182.2
[M]+ 320.18832 177.9
[M]- 320.18942 177.9
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

patents stripe