CID 44240

4-amino-n-(2-diethylaminoethyl)benzamidine trihydrochloride

Structural Information

Molecular Formula
C13H22N4
SMILES
CCN(CC)CCN=C(C1=CC=C(C=C1)N)N
InChI
InChI=1S/C13H22N4/c1-3-17(4-2)10-9-16-13(15)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H2,15,16)
InChIKey
YOZQUXBFGYQEJU-UHFFFAOYSA-N
Compound name
4-amino-N'-[2-(diethylamino)ethyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.18445 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19173 158.3
[M+Na]+ 257.17367 166.4
[M+NH4]+ 252.21827 165.5
[M+K]+ 273.14761 160.5
[M-H]- 233.17717 162.5
[M+Na-2H]- 255.15912 163.7
[M]+ 234.18390 160.2
[M]- 234.18500 160.2
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.