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]+ 291.185556 169.1
[M+Na]+ 313.167498 178.5
[M-H]- 289.171004 178.5
[M+NH4]+ 308.212103 180.2
[M+K]+ 329.141438 172.1
[M+H-H2O]+ 273.175540 160.3
[M+HCOO]- 335.176481 188.7
[M+CH3COO]- 349.192131 179.9
[M+Na-2H]- 311.152946 171.3
[M]+ 290.17773142 168.8
[M]- 290.17882858 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.