CID 52212

4-ethoxy-n-(2-(1-pyrrolidinyl)ethyl)benzamidine dihydrochloride hydrate

Structural Information

Molecular Formula
C15H23N3O
SMILES
CCOC1=CC=C(C=C1)C(=NCCN2CCCC2)N
InChI
InChI=1S/C15H23N3O/c1-2-19-14-7-5-13(6-8-14)15(16)17-9-12-18-10-3-4-11-18/h5-8H,2-4,9-12H2,1H3,(H2,16,17)
InChIKey
OIUHGZJVUQDTCM-UHFFFAOYSA-N
Compound name
4-ethoxy-N'-(2-pyrrolidin-1-ylethyl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 162.9
[M+Na]+ 284.17332 166.5
[M-H]- 260.17682 168.1
[M+NH4]+ 279.21792 179.5
[M+K]+ 300.14726 163.7
[M+H-H2O]+ 244.18136 153.9
[M+HCOO]- 306.18230 185.9
[M+CH3COO]- 320.19795 202.5
[M+Na-2H]- 282.15877 164.4
[M]+ 261.18355 160.6
[M]- 261.18465 160.6
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.