CID 3043168

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

Structural Information

Molecular Formula
C13H20N4S
SMILES
CSC1=CC=CC(=C1)CN2CCN(CC2)C(=N)N
InChI
InChI=1S/C13H20N4S/c1-18-12-4-2-3-11(9-12)10-16-5-7-17(8-6-16)13(14)15/h2-4,9H,5-8,10H2,1H3,(H3,14,15)
InChIKey
FTVFSHDSLQYXML-UHFFFAOYSA-N
Compound name
4-[(3-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 160.7
[M+Na]+ 287.13009 165.3
[M-H]- 263.13359 163.3
[M+NH4]+ 282.17469 174.2
[M+K]+ 303.10403 160.2
[M+H-H2O]+ 247.13813 151.9
[M+HCOO]- 309.13907 173.9
[M+CH3COO]- 323.15472 200.0
[M+Na-2H]- 285.11554 161.1
[M]+ 264.14032 155.4
[M]- 264.14142 155.4
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.