CID 34302

28646-25-5

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCN(CC)C(=O)CC(C(=O)O)NCCC1=CC=CC=C1
InChI
InChI=1S/C16H24N2O3/c1-3-18(4-2)15(19)12-14(16(20)21)17-11-10-13-8-6-5-7-9-13/h5-9,14,17H,3-4,10-12H2,1-2H3,(H,20,21)
InChIKey
VUTCJOYAJOMIFY-UHFFFAOYSA-N
Compound name
4-(diethylamino)-4-oxo-2-(2-phenylethylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 172.8
[M+Na]+ 315.167898 174.8
[M-H]- 291.171404 175.2
[M+NH4]+ 310.212503 186.9
[M+K]+ 331.141838 173.7
[M+H-H2O]+ 275.175940 164.8
[M+HCOO]- 337.176881 194.1
[M+CH3COO]- 351.192531 209.5
[M+Na-2H]- 313.153346 172.9
[M]+ 292.17813142 173.9
[M]- 292.17922858 173.9
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.