CID 6338187

1-piperazinecarboxamidine, n-((p-chlorophenyl)amidino)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula
C13H19ClN6
SMILES
CN1CCN(CC1)/C(=N/C(=NC2=CC=C(C=C2)Cl)N)/N
InChI
InChI=1S/C13H19ClN6/c1-19-6-8-20(9-7-19)13(16)18-12(15)17-11-4-2-10(14)3-5-11/h2-5H,6-9H2,1H3,(H4,15,16,17,18)
InChIKey
ZJYVKXRIFYOPMF-UHFFFAOYSA-N
Compound name
N'-[N'-(4-chlorophenyl)carbamimidoyl]-4-methylpiperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

294.136 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14328 170.7
[M+Na]+ 317.12522 175.2
[M-H]- 293.12872 175.6
[M+NH4]+ 312.16982 183.7
[M+K]+ 333.09916 170.9
[M+H-H2O]+ 277.13326 161.2
[M+HCOO]- 339.13420 188.2
[M+CH3COO]- 353.14985 212.8
[M+Na-2H]- 315.11067 172.7
[M]+ 294.13545 165.3
[M]- 294.13655 165.3
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

patents stripe