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]+ 236.175736 157.2
[M+Na]+ 258.157678 161.8
[M-H]- 234.161184 162.6
[M+NH4]+ 253.202283 175.2
[M+K]+ 274.131618 161.2
[M+H-H2O]+ 218.165720 149.2
[M+HCOO]- 280.166661 184.2
[M+CH3COO]- 294.182311 206.1
[M+Na-2H]- 256.143126 160.7
[M]+ 235.16791142 158.7
[M]- 235.16900858 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.