CID 3043154

1-piperazinecarboximidamide, 4-((3-methylphenyl)methyl)-, sulfate (2:1)

Structural Information

Molecular Formula
C13H20N4
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)C(=N)N
InChI
InChI=1S/C13H20N4/c1-11-3-2-4-12(9-11)10-16-5-7-17(8-6-16)13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15)
InChIKey
PGGNDQMDWFCSSV-UHFFFAOYSA-N
Compound name
4-[(3-methylphenyl)methyl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17608 156.0
[M+Na]+ 255.15802 166.5
[M+NH4]+ 250.20262 163.4
[M+K]+ 271.13196 160.3
[M-H]- 231.16152 159.8
[M+Na-2H]- 253.14347 162.3
[M]+ 232.16825 158.2
[M]- 232.16935 158.2
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.