CID 214950

Brn 0887911

Structural Information

Molecular Formula
C20H18N2
SMILES
CC1=CC=C(C=C1)C2=CN3C=CN(C3=C2)CC4=CC=CC=C4
InChI
InChI=1S/C20H18N2/c1-16-7-9-18(10-8-16)19-13-20-21(11-12-22(20)15-19)14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3
InChIKey
SANSGBMYIPSHJA-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-methylphenyl)pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.147 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15428 167.6
[M+Na]+ 309.13622 178.0
[M-H]- 285.13972 176.8
[M+NH4]+ 304.18082 185.2
[M+K]+ 325.11016 171.3
[M+H-H2O]+ 269.14426 158.5
[M+HCOO]- 331.14520 191.5
[M+CH3COO]- 345.16085 180.4
[M+Na-2H]- 307.12167 170.5
[M]+ 286.14645 170.2
[M]- 286.14755 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.