CID 3044692

4,5-dihydro-2-(2,2-bis(p-tolyl)cyclopropyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C20H22N2
SMILES
CC1=CC=C(C=C1)C2(CC2C3=NCCN3)C4=CC=C(C=C4)C
InChI
InChI=1S/C20H22N2/c1-14-3-7-16(8-4-14)20(17-9-5-15(2)6-10-17)13-18(20)19-21-11-12-22-19/h3-10,18H,11-13H2,1-2H3,(H,21,22)
InChIKey
GRQFPWLDKSKOJU-UHFFFAOYSA-N
Compound name
2-[2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 169.1
[M+Na]+ 313.16750 178.5
[M-H]- 289.17100 178.5
[M+NH4]+ 308.21210 180.2
[M+K]+ 329.14144 172.1
[M+H-H2O]+ 273.17554 160.3
[M+HCOO]- 335.17648 188.7
[M+CH3COO]- 349.19213 179.9
[M+Na-2H]- 311.15295 171.3
[M]+ 290.17773 168.8
[M]- 290.17883 168.8
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.