CID 456957

{[1,5-bis(phenyl)-2-methylpyrrol-3-yl]methyl}imidazole

Structural Information

Molecular Formula
C21H19N3
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CN4C=CN=C4
InChI
InChI=1S/C21H19N3/c1-17-19(15-23-13-12-22-16-23)14-21(18-8-4-2-5-9-18)24(17)20-10-6-3-7-11-20/h2-14,16H,15H2,1H3
InChIKey
ZRNNIJOVVNXMIM-UHFFFAOYSA-N
Compound name
1-[(2-methyl-1,5-diphenylpyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1579 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16518 173.7
[M+Na]+ 336.14712 183.4
[M-H]- 312.15062 183.7
[M+NH4]+ 331.19172 187.3
[M+K]+ 352.12106 176.3
[M+H-H2O]+ 296.15516 162.7
[M+HCOO]- 358.15610 197.2
[M+CH3COO]- 372.17175 185.5
[M+Na-2H]- 334.13257 175.4
[M]+ 313.15735 175.6
[M]- 313.15845 175.6
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.