CID 6473903

Pentamidine congerer

Structural Information

Molecular Formula
C22H24N4O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)OC/C=C\COC3=CC=C(C=C3)C4=NCCN4
InChI
InChI=1S/C22H24N4O2/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/h1-10H,11-16H2,(H,23,24)(H,25,26)/b2-1-
InChIKey
DTXPQWHAEILBLI-UPHRSURJSA-N
Compound name
2-[4-[(Z)-4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]but-2-enoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

376.1899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19718 188.4
[M+Na]+ 399.17912 192.5
[M-H]- 375.18262 192.8
[M+NH4]+ 394.22372 195.8
[M+K]+ 415.15306 185.0
[M+H-H2O]+ 359.18716 176.2
[M+HCOO]- 421.18810 203.6
[M+CH3COO]- 435.20375 195.5
[M+Na-2H]- 397.16457 186.8
[M]+ 376.18935 184.8
[M]- 376.19045 184.8
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