CID 3040221

Gc 77

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCN(CC)CCNC(=O)CCC1=CC=CC=C1
InChI
InChI=1S/C15H24N2O/c1-3-17(4-2)13-12-16-15(18)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,16,18)
InChIKey
SKPUBZZYQWWUGK-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 162.7
[M+Na]+ 271.178078 165.9
[M-H]- 247.181584 166.5
[M+NH4]+ 266.222683 179.7
[M+K]+ 287.152018 164.2
[M+H-H2O]+ 231.186120 154.8
[M+HCOO]- 293.187061 187.2
[M+CH3COO]- 307.202711 204.0
[M+Na-2H]- 269.163526 166.1
[M]+ 248.18831142 164.5
[M]- 248.18940858 164.5
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.