CID 218220

Acetamide, 2-((2-(diethylamino)ethyl)amino)-n-(1-(phenylmethyl)cyclopentyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H33N3O
SMILES
CCN(CC)CCNCC(=O)NC1(CCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C20H33N3O/c1-3-23(4-2)15-14-21-17-19(24)22-20(12-8-9-13-20)16-18-10-6-5-7-11-18/h5-7,10-11,21H,3-4,8-9,12-17H2,1-2H3,(H,22,24)
InChIKey
KNZRQROAWAPDJC-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclopentyl)-2-[2-(diethylamino)ethylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.26236 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.26964 183.8
[M+Na]+ 354.25158 183.9
[M-H]- 330.25508 189.7
[M+NH4]+ 349.29618 200.2
[M+K]+ 370.22552 181.3
[M+H-H2O]+ 314.25962 175.0
[M+HCOO]- 376.26056 206.9
[M+CH3COO]- 390.27621 219.7
[M+Na-2H]- 352.23703 184.8
[M]+ 331.26181 182.2
[M]- 331.26291 182.2
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.