CID 460727

Chembl20901

Structural Information

Molecular Formula
C24H19N3
SMILES
C1=CC=C(C=C1)C2=CNC=C2C(C3=CC=CC4=CC=CC=C43)N5C=CN=C5
InChI
InChI=1S/C24H19N3/c1-2-7-19(8-3-1)22-15-26-16-23(22)24(27-14-13-25-17-27)21-12-6-10-18-9-4-5-11-20(18)21/h1-17,24,26H
InChIKey
GUDIQGQWPMGUDJ-UHFFFAOYSA-N
Compound name
1-[naphthalen-1-yl-(4-phenyl-1H-pyrrol-3-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

349.1579 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16518 182.3
[M+Na]+ 372.14712 190.2
[M-H]- 348.15062 191.4
[M+NH4]+ 367.19172 194.0
[M+K]+ 388.12106 181.6
[M+H-H2O]+ 332.15516 171.2
[M+HCOO]- 394.15610 201.9
[M+CH3COO]- 408.17175 192.2
[M+Na-2H]- 370.13257 184.3
[M]+ 349.15735 181.2
[M]- 349.15845 181.2
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.