CID 457230

1-[1,2-bis(4-methoxyphenyl)butyl]imidazole

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)N3C=CN=C3
InChI
InChI=1S/C21H24N2O2/c1-4-20(16-5-9-18(24-2)10-6-16)21(23-14-13-22-15-23)17-7-11-19(25-3)12-8-17/h5-15,20-21H,4H2,1-3H3
InChIKey
XCAZGMMZCWHPOE-UHFFFAOYSA-N
Compound name
1-[1,2-bis(4-methoxyphenyl)butyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 182.2
[M+Na]+ 359.17300 187.8
[M-H]- 335.17650 189.0
[M+NH4]+ 354.21760 194.2
[M+K]+ 375.14694 183.6
[M+H-H2O]+ 319.18104 171.6
[M+HCOO]- 381.18198 201.9
[M+CH3COO]- 395.19763 211.8
[M+Na-2H]- 357.15845 182.4
[M]+ 336.18323 185.1
[M]- 336.18433 185.1
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.