CID 3069989

N-(4-cyclopentylphenyl)-3-(diethylamino)propanamide hydrochloride

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCN(CC)CCC(=O)NC1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C18H28N2O/c1-3-20(4-2)14-13-18(21)19-17-11-9-16(10-12-17)15-7-5-6-8-15/h9-12,15H,3-8,13-14H2,1-2H3,(H,19,21)
InChIKey
XKNPNYPAEPDVKZ-UHFFFAOYSA-N
Compound name
N-(4-cyclopentylphenyl)-3-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.5
[M+Na]+ 311.20937 175.5
[M-H]- 287.21287 180.1
[M+NH4]+ 306.25397 190.5
[M+K]+ 327.18331 172.9
[M+H-H2O]+ 271.21741 165.1
[M+HCOO]- 333.21835 196.3
[M+CH3COO]- 347.23400 210.4
[M+Na-2H]- 309.19482 173.0
[M]+ 288.21960 172.1
[M]- 288.22070 172.1
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

patents stripe