CID 48233

N-(2-dimethylaminoethyl)-4-ethoxybenzamidine dihydrochloride

Structural Information

Molecular Formula
C13H21N3O
SMILES
CCOC1=CC=C(C=C1)C(=NCCN(C)C)N
InChI
InChI=1S/C13H21N3O/c1-4-17-12-7-5-11(6-8-12)13(14)15-9-10-16(2)3/h5-8H,4,9-10H2,1-3H3,(H2,14,15)
InChIKey
PDXCYMCWWCOVFU-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-4-ethoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.16846 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17574 157.2
[M+Na]+ 258.15768 161.8
[M-H]- 234.16118 162.6
[M+NH4]+ 253.20228 175.2
[M+K]+ 274.13162 161.2
[M+H-H2O]+ 218.16572 149.2
[M+HCOO]- 280.16666 184.2
[M+CH3COO]- 294.18231 206.1
[M+Na-2H]- 256.14313 160.7
[M]+ 235.16791 158.7
[M]- 235.16901 158.7
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.