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]+ 289.227426 173.5
[M+Na]+ 311.209368 175.5
[M-H]- 287.212874 180.1
[M+NH4]+ 306.253973 190.5
[M+K]+ 327.183308 172.9
[M+H-H2O]+ 271.217410 165.1
[M+HCOO]- 333.218351 196.3
[M+CH3COO]- 347.234001 210.4
[M+Na-2H]- 309.194816 173.0
[M]+ 288.21960142 172.1
[M]- 288.22069858 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