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

literature stripe

Patent stripe

patents stripe