CID 3056824

N-(2-(diethylamino)ethyl)-2-phenylvaleramide

Structural Information

Molecular Formula
C17H28N2O
SMILES
CCCC(C1=CC=CC=C1)C(=O)NCCN(CC)CC
InChI
InChI=1S/C17H28N2O/c1-4-10-16(15-11-8-7-9-12-15)17(20)18-13-14-19(5-2)6-3/h7-9,11-12,16H,4-6,10,13-14H2,1-3H3,(H,18,20)
InChIKey
OMKITGNLYDMZKJ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.227426 172.5
[M+Na]+ 299.209368 174.7
[M-H]- 275.212874 176.1
[M+NH4]+ 294.253973 188.4
[M+K]+ 315.183308 173.0
[M+H-H2O]+ 259.217410 164.3
[M+HCOO]- 321.218351 195.3
[M+CH3COO]- 335.234001 210.9
[M+Na-2H]- 297.194816 173.6
[M]+ 276.21960142 174.4
[M]- 276.22069858 174.4
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.