CID 6338180

1,4-piperazinedicarboxamidine, n,n''-bis((3,4-dichlorophenyl)amidino)-, dihydrochloride

Structural Information

Molecular Formula
C20H22Cl4N10
SMILES
C1N(CCN(C1)/C(=N/C(=NC2=CC(=C(C=C2)Cl)Cl)N)/N)/C(=N/C(=NC3=CC(=C(C=C3)Cl)Cl)N)/N
InChI
InChI=1S/C20H22Cl4N10/c21-13-3-1-11(9-15(13)23)29-17(25)31-19(27)33-5-7-34(8-6-33)20(28)32-18(26)30-12-2-4-14(22)16(24)10-12/h1-4,9-10H,5-8H2,(H4,25,27,29,31)(H4,26,28,30,32)
InChIKey
HBZZVCWXLRVVNZ-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[N'-(3,4-dichlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.0783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.08558 232.9
[M+Na]+ 565.06752 236.2
[M-H]- 541.07102 238.7
[M+NH4]+ 560.11212 236.8
[M+K]+ 581.04146 231.5
[M+H-H2O]+ 525.07556 223.7
[M+HCOO]- 587.07650 238.0
[M+CH3COO]- 601.09215 264.4
[M+Na-2H]- 563.05297 227.8
[M]+ 542.07775 228.7
[M]- 542.07885 228.7
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.