CID 205074

1-piperazinecarboxamidine, 4-(m-chlorophenyl)-, hemisulfate

Structural Information

Molecular Formula
C11H15ClN4
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=N)N
InChI
InChI=1S/C11H15ClN4/c12-9-2-1-3-10(8-9)15-4-6-16(7-5-15)11(13)14/h1-3,8H,4-7H2,(H3,13,14)
InChIKey
YPUBLDRXHVIFIU-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09853 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10581 154.4
[M+Na]+ 261.08775 160.3
[M-H]- 237.09125 157.1
[M+NH4]+ 256.13235 169.1
[M+K]+ 277.06169 155.0
[M+H-H2O]+ 221.09579 146.1
[M+HCOO]- 283.09673 168.8
[M+CH3COO]- 297.11238 194.0
[M+Na-2H]- 259.07320 157.7
[M]+ 238.09798 148.2
[M]- 238.09908 148.2
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.