CID 6481276

Chembl20467

Structural Information

Molecular Formula
C21H19N3
SMILES
CC1=CC=C(C=C1)C(C2=CN(C=C2)C3=CC=CC=C3)N4C=CN=C4
InChI
InChI=1S/C21H19N3/c1-17-7-9-18(10-8-17)21(24-14-12-22-16-24)19-11-13-23(15-19)20-5-3-2-4-6-20/h2-16,21H,1H3
InChIKey
VJIHYQGXTXLCCZ-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)-(1-phenylpyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
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 173.4
[M+Na]+ 336.14712 181.8
[M-H]- 312.15062 183.1
[M+NH4]+ 331.19172 186.6
[M+K]+ 352.12106 175.3
[M+H-H2O]+ 296.15516 162.3
[M+HCOO]- 358.15610 195.9
[M+CH3COO]- 372.17175 184.8
[M+Na-2H]- 334.13257 174.8
[M]+ 313.15735 174.4
[M]- 313.15845 174.4
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.