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 157.8
[M+Na]+ 257.17367 161.7
[M-H]- 233.17717 162.7
[M+NH4]+ 252.21827 175.2
[M+K]+ 273.14761 160.3
[M+H-H2O]+ 217.18171 149.5
[M+HCOO]- 279.18265 184.9
[M+CH3COO]- 293.19830 208.6
[M+Na-2H]- 255.15912 160.6
[M]+ 234.18390 156.2
[M]- 234.18500 156.2
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.