CID 3030050

1-piperazinecarboxamidine, 4-(2-phenoxyethyl)-

Structural Information

Molecular Formula
C13H20N4O
SMILES
C1CN(CCN1CCOC2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C13H20N4O/c14-13(15)17-8-6-16(7-9-17)10-11-18-12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,14,15)
InChIKey
ALTFAIMSQBZALK-UHFFFAOYSA-N
Compound name
4-(2-phenoxyethyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16371 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 158.4
[M+Na]+ 271.15293 161.6
[M-H]- 247.15643 160.7
[M+NH4]+ 266.19753 171.4
[M+K]+ 287.12687 158.2
[M+H-H2O]+ 231.16097 148.8
[M+HCOO]- 293.16191 177.0
[M+CH3COO]- 307.17756 197.3
[M+Na-2H]- 269.13838 162.1
[M]+ 248.16316 151.9
[M]- 248.16426 151.9
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.