CID 6473904

Pentamidine congener

Structural Information

Molecular Formula
C18H20N4O2
SMILES
C1=CC(=CC=C1C(=N)N)OC/C=C\COC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C18H20N4O2/c19-17(20)13-3-7-15(8-4-13)23-11-1-2-12-24-16-9-5-14(6-10-16)18(21)22/h1-10H,11-12H2,(H3,19,20)(H3,21,22)/b2-1-
InChIKey
MNQAMLJHWQQDHZ-UPHRSURJSA-N
Compound name
4-[(Z)-4-(4-carbamimidoylphenoxy)but-2-enoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 176.6
[M+Na]+ 347.14785 179.9
[M-H]- 323.15135 181.8
[M+NH4]+ 342.19245 188.3
[M+K]+ 363.12179 175.2
[M+H-H2O]+ 307.15589 167.2
[M+HCOO]- 369.15683 201.3
[M+CH3COO]- 383.17248 218.8
[M+Na-2H]- 345.13330 178.3
[M]+ 324.15808 172.4
[M]- 324.15918 172.4
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.