CID 6338181

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

Structural Information

Molecular Formula
C20H24Br2N10
SMILES
C1N(CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)Br)N)/N)/C(=N/C(=NC3=CC=C(C=C3)Br)N)/N
InChI
InChI=1S/C20H24Br2N10/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
PFJZXBKRVXIKEG-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[N'-(4-bromophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

562.05524 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.06252 195.8
[M+Na]+ 585.04446 196.8
[M-H]- 561.04796 204.8
[M+NH4]+ 580.08906 201.6
[M+K]+ 601.01840 180.2
[M+H-H2O]+ 545.05250 193.7
[M+HCOO]- 607.05344 211.1
[M+CH3COO]- 621.06909 258.6
[M+Na-2H]- 583.02991 196.8
[M]+ 562.05469 218.9
[M]- 562.05579 218.9
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.