CID 485989

Db382

Structural Information

Molecular Formula
C22H21N5
SMILES
C1CN=C(N1)C2=CC=CC(=C2)C3=CC=C(N3)C4=CC(=CC=C4)C5=NCCN5
InChI
InChI=1S/C22H21N5/c1-3-15(13-17(5-1)21-23-9-10-24-21)19-7-8-20(27-19)16-4-2-6-18(14-16)22-25-11-12-26-22/h1-8,13-14,27H,9-12H2,(H,23,24)(H,25,26)
InChIKey
HFJGFQSBMATCJU-UHFFFAOYSA-N
Compound name
2-[3-[5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-pyrrol-2-yl]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

355.1797 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18698 179.8
[M+Na]+ 378.16892 185.6
[M-H]- 354.17242 186.6
[M+NH4]+ 373.21352 188.1
[M+K]+ 394.14286 176.8
[M+H-H2O]+ 338.17696 168.2
[M+HCOO]- 400.17790 194.0
[M+CH3COO]- 414.19355 187.6
[M+Na-2H]- 376.15437 176.0
[M]+ 355.17915 172.6
[M]- 355.18025 172.6
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.