CID 5748610

Picloxydine

Structural Information

Molecular Formula
C20H24Cl2N10
SMILES
C1N(CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N)/C(=N/C(=NC3=CC=C(C=C3)Cl)N)/N
InChI
InChI=1S/C20H24Cl2N10/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
YNCLPFSAZFGQCD-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

809
Patents

474.15625 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.16353 207.3
[M+Na]+ 497.14547 213.9
[M+NH4]+ 492.19007 211.6
[M+K]+ 513.11941 208.5
[M-H]- 473.14897 214.8
[M+Na-2H]- 495.13092 213.4
[M]+ 474.15570 210.1
[M]- 474.15680 210.1
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.