CID 3044700

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

Structural Information

Molecular Formula
C27H28N2
SMILES
CC1=CC=C(C=C1)C2(CC2C3=NCCN3CC4=CC=CC=C4)C5=CC=C(C=C5)C
InChI
InChI=1S/C27H28N2/c1-20-8-12-23(13-9-20)27(24-14-10-21(2)11-15-24)18-25(27)26-28-16-17-29(26)19-22-6-4-3-5-7-22/h3-15,25H,16-19H2,1-2H3
InChIKey
QOSKYNIXOIYBGE-UHFFFAOYSA-N
Compound name
1-benzyl-2-[2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydroimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22525 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23253 199.0
[M+Na]+ 403.21447 218.1
[M+NH4]+ 398.25907 210.2
[M+K]+ 419.18841 207.9
[M-H]- 379.21797 215.6
[M+Na-2H]- 401.19992 214.9
[M]+ 380.22470 208.2
[M]- 380.22580 208.2
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.