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]+ 235.191726 157.8
[M+Na]+ 257.173668 161.7
[M-H]- 233.177174 162.7
[M+NH4]+ 252.218273 175.2
[M+K]+ 273.147608 160.3
[M+H-H2O]+ 217.181710 149.5
[M+HCOO]- 279.182651 184.9
[M+CH3COO]- 293.198301 208.6
[M+Na-2H]- 255.159116 160.6
[M]+ 234.18390142 156.2
[M]- 234.18499858 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.