CID 3043597

1-piperazinecarboximidamide, 4-((4-chlorophenyl)methyl)-, sulfate, hydrate (2:1:2)

Structural Information

Molecular Formula
C12H17ClN4
SMILES
C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=N)N
InChI
InChI=1S/C12H17ClN4/c13-11-3-1-10(2-4-11)9-16-5-7-17(8-6-16)12(14)15/h1-4H,5-9H2,(H3,14,15)
InChIKey
CZUGKWOTFRKTLH-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)methyl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11418 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12146 158.8
[M+Na]+ 275.10340 164.2
[M-H]- 251.10690 161.3
[M+NH4]+ 270.14800 172.9
[M+K]+ 291.07734 158.7
[M+H-H2O]+ 235.11144 150.3
[M+HCOO]- 297.11238 172.9
[M+CH3COO]- 311.12803 197.0
[M+Na-2H]- 273.08885 161.6
[M]+ 252.11363 153.0
[M]- 252.11473 153.0
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.