CID 3064103

N'-(2,6-dichlorophenyl)-n,n-dimethyl-4-methyl-1-piperazinecarboxamidine hydrochloride

Structural Information

Molecular Formula
C14H20Cl2N4
SMILES
CN1CCN(CC1)C(=NC2=C(C=CC=C2Cl)Cl)N(C)C
InChI
InChI=1S/C14H20Cl2N4/c1-18(2)14(20-9-7-19(3)8-10-20)17-13-11(15)5-4-6-12(13)16/h4-6H,7-10H2,1-3H3
InChIKey
PPFCDDUIXIFBBM-UHFFFAOYSA-N
Compound name
N'-(2,6-dichlorophenyl)-N,N,4-trimethylpiperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1065 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11378 173.9
[M+Na]+ 337.09572 180.4
[M-H]- 313.09922 179.0
[M+NH4]+ 332.14032 188.0
[M+K]+ 353.06966 175.8
[M+H-H2O]+ 297.10376 165.1
[M+HCOO]- 359.10470 184.7
[M+CH3COO]- 373.12035 213.5
[M+Na-2H]- 335.08117 174.8
[M]+ 314.10595 174.3
[M]- 314.10705 174.3
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

No patent data available for this compound.