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 226.9
[M+Na]+ 525.17678 230.1
[M-H]- 501.18028 236.3
[M+NH4]+ 520.22138 232.3
[M+K]+ 541.15072 224.3
[M+H-H2O]+ 485.18482 214.8
[M+HCOO]- 547.18576 244.8
[M+CH3COO]- 561.20141 264.7
[M+Na-2H]- 523.16223 227.3
[M]+ 502.18701 225.1
[M]- 502.18811 225.1
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.