CID 3043164

1-piperazinecarboximidamide, 4-((4-methoxyphenyl)methyl)-, sulfate (2:1)

Structural Information

Molecular Formula
C13H20N4O
SMILES
COC1=CC=C(C=C1)CN2CCN(CC2)C(=N)N
InChI
InChI=1S/C13H20N4O/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
OOCKLJVOYBJZOP-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16371 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 159.2
[M+Na]+ 271.15293 163.4
[M-H]- 247.15643 161.9
[M+NH4]+ 266.19753 172.6
[M+K]+ 287.12687 160.0
[M+H-H2O]+ 231.16097 149.9
[M+HCOO]- 293.16191 177.9
[M+CH3COO]- 307.17756 198.5
[M+Na-2H]- 269.13838 162.2
[M]+ 248.16316 153.1
[M]- 248.16426 153.1
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.