CID 9578435

1,4-piperazinedicarboxamidine, n,n''-bis((p-chlorophenyl)amidino)-2,5-dimethyl-, dihydrochloride

Structural Information

Molecular Formula
C22H28Cl2N10
SMILES
CC1N(CC(N(C1)C(=N/C=N/NC2=CC=C(C=C2)Cl)N)C)C(=N/C=N/NC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C22H28Cl2N10/c1-15-11-34(22(26)28-14-30-32-20-9-5-18(24)6-10-20)16(2)12-33(15)21(25)27-13-29-31-19-7-3-17(23)4-8-19/h3-10,13-16,31-32H,11-12H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
InChIKey
JBNPLGDPYOEUAW-UHFFFAOYSA-N
Compound name
1-N',4-N'-bis[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2,5-dimethylpiperazine-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.18756 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.19484 217.9
[M+Na]+ 525.17678 225.9
[M+NH4]+ 520.22138 222.3
[M+K]+ 541.15072 218.3
[M-H]- 501.18028 226.0
[M+Na-2H]- 523.16223 224.3
[M]+ 502.18701 221.2
[M]- 502.18811 221.2
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.