CID 6338182

1,4-piperazinedicarboxamidine, n,n''-bis((p-fluorophenyl)amidino)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C20H24F2N10
SMILES
C1N(CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)F)N)/N)/C(=N/C(=NC3=CC=C(C=C3)F)N)/N
InChI
InChI=1S/C20H24F2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
InChIKey
JSVRPFBEQBIJIL-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[N'-(4-fluorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

442.21533 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.22261 189.4
[M+Na]+ 465.20455 192.4
[M+NH4]+ 460.24915 191.7
[M+K]+ 481.17849 189.8
[M-H]- 441.20805 193.8
[M+Na-2H]- 463.19000 194.7
[M]+ 442.21478 189.9
[M]- 442.21588 189.9
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.