CID 6482084

Chembl5439415

Structural Information

Molecular Formula
C22H21N3O
SMILES
COC1=CC=C(C=C1)C(CC2=CC=C(C=C2)N3C=CC=C3)N4C=CN=C4
InChI
InChI=1S/C22H21N3O/c1-26-21-10-6-19(7-11-21)22(25-15-12-23-17-25)16-18-4-8-20(9-5-18)24-13-2-3-14-24/h2-15,17,22H,16H2,1H3
InChIKey
IGQWJOOBHMMXAE-UHFFFAOYSA-N
Compound name
1-[1-(4-methoxyphenyl)-2-(4-pyrrol-1-ylphenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.16846 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17574 180.9
[M+Na]+ 366.15768 188.5
[M-H]- 342.16118 190.4
[M+NH4]+ 361.20228 192.7
[M+K]+ 382.13162 182.5
[M+H-H2O]+ 326.16572 169.4
[M+HCOO]- 388.16666 203.1
[M+CH3COO]- 402.18231 191.6
[M+Na-2H]- 364.14313 181.7
[M]+ 343.16791 183.4
[M]- 343.16901 183.4
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.