CID 122669

Dipp

Structural Information

Molecular Formula
C21H24N4O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C4=NCCN4
InChI
InChI=1S/C21H24N4O2/c1(14-26-18-6-2-16(3-7-18)20-22-10-11-23-20)15-27-19-8-4-17(5-9-19)21-24-12-13-25-21/h2-9H,1,10-15H2,(H,22,23)(H,24,25)
InChIKey
PSXUKPCAIKETHF-UHFFFAOYSA-N
Compound name
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

1304
Patents

364.1899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 184.1
[M+Na]+ 387.17912 188.3
[M-H]- 363.18262 188.6
[M+NH4]+ 382.22372 192.0
[M+K]+ 403.15306 181.6
[M+H-H2O]+ 347.18716 172.1
[M+HCOO]- 409.18810 199.4
[M+CH3COO]- 423.20375 191.6
[M+Na-2H]- 385.16457 183.1
[M]+ 364.18935 181.0
[M]- 364.19045 181.0
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