CID 148116

129050-97-1

Structural Information

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

4
References

1
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

patents stripe