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]+ 325.165906 176.6
[M+Na]+ 347.147848 179.9
[M-H]- 323.151354 181.8
[M+NH4]+ 342.192453 188.3
[M+K]+ 363.121788 175.2
[M+H-H2O]+ 307.155890 167.2
[M+HCOO]- 369.156831 201.3
[M+CH3COO]- 383.172481 218.8
[M+Na-2H]- 345.133296 178.3
[M]+ 324.15808142 172.4
[M]- 324.15917858 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.