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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.