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 164.3
[M+Na]+ 284.17332 173.2
[M+NH4]+ 279.21792 171.7
[M+K]+ 300.14726 168.4
[M-H]- 260.17682 168.1
[M+Na-2H]- 282.15877 170.0
[M]+ 261.18355 166.3
[M]- 261.18465 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.