CID 456161

Chembl1187805

Structural Information

Molecular Formula
C22H26N4O2
SMILES
C1CN=C(N1)C2=CC(=CC=C2)OCCCCOC3=CC=CC(=C3)C4=NCCN4
InChI
InChI=1S/C22H26N4O2/c1(13-27-19-7-3-5-17(15-19)21-23-9-10-24-21)2-14-28-20-8-4-6-18(16-20)22-25-11-12-26-22/h3-8,15-16H,1-2,9-14H2,(H,23,24)(H,25,26)
InChIKey
RIWPJXUMTFYVQG-UHFFFAOYSA-N
Compound name
2-[3-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]butoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.20557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 188.2
[M+Na]+ 401.19479 191.9
[M-H]- 377.19829 192.5
[M+NH4]+ 396.23939 195.5
[M+K]+ 417.16873 185.0
[M+H-H2O]+ 361.20283 175.9
[M+HCOO]- 423.20377 203.2
[M+CH3COO]- 437.21942 195.3
[M+Na-2H]- 399.18024 186.7
[M]+ 378.20502 185.4
[M]- 378.20612 185.4
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

No patent data available for this compound.