CID 24842003

1-piperazinecarboxamidine, 4-(3,4-dichlorophenyl)-, hemisulfate

Structural Information

Molecular Formula
C11H14Cl2N4
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=N)N
InChI
InChI=1S/C11H14Cl2N4/c12-9-2-1-8(7-10(9)13)16-3-5-17(6-4-16)11(14)15/h1-2,7H,3-6H2,(H3,14,15)
InChIKey
DAXAVVYIAXNVMY-UHFFFAOYSA-N
Compound name
4-(3,4-dichlorophenyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.05954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06682 161.0
[M+Na]+ 295.04876 168.1
[M-H]- 271.05226 163.2
[M+NH4]+ 290.09336 175.0
[M+K]+ 311.02270 161.7
[M+H-H2O]+ 255.05680 153.5
[M+HCOO]- 317.05774 170.3
[M+CH3COO]- 331.07339 199.6
[M+Na-2H]- 293.03421 162.7
[M]+ 272.05899 156.4
[M]- 272.06009 156.4
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.