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 200.6
[M+Na]+ 465.20455 201.8
[M-H]- 441.20805 207.9
[M+NH4]+ 460.24915 205.9
[M+K]+ 481.17849 198.6
[M+H-H2O]+ 425.21259 186.2
[M+HCOO]- 487.21353 223.8
[M+CH3COO]- 501.22918 255.1
[M+Na-2H]- 463.19000 200.8
[M]+ 442.21478 188.5
[M]- 442.21588 188.5
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.