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]+ 277.22743 172.5
[M+Na]+ 299.20937 174.7
[M-H]- 275.21287 176.1
[M+NH4]+ 294.25397 188.4
[M+K]+ 315.18331 173.0
[M+H-H2O]+ 259.21741 164.3
[M+HCOO]- 321.21835 195.3
[M+CH3COO]- 335.23400 210.9
[M+Na-2H]- 297.19482 173.6
[M]+ 276.21960 174.4
[M]- 276.22070 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.