CID 3043170

1-piperazinecarboximidamide, 4-((4-(methylthio)phenyl)methyl)-, sulfate (2:1)

Structural Information

Molecular Formula
C13H20N4S
SMILES
CSC1=CC=C(C=C1)CN2CCN(CC2)C(=N)N
InChI
InChI=1S/C13H20N4S/c1-18-12-4-2-11(3-5-12)10-16-6-8-17(9-7-16)13(14)15/h2-5H,6-10H2,1H3,(H3,14,15)
InChIKey
PPCZICJKNAKOMI-UHFFFAOYSA-N
Compound name
4-[(4-methylsulfanylphenyl)methyl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.14087 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14815 160.0
[M+Na]+ 287.13009 169.9
[M+NH4]+ 282.17469 167.7
[M+K]+ 303.10403 161.8
[M-H]- 263.13359 164.0
[M+Na-2H]- 285.11554 165.9
[M]+ 264.14032 162.7
[M]- 264.14142 162.7
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.