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]+ 293.18596 172.8
[M+Na]+ 315.16790 174.8
[M-H]- 291.17140 175.2
[M+NH4]+ 310.21250 186.9
[M+K]+ 331.14184 173.7
[M+H-H2O]+ 275.17594 164.8
[M+HCOO]- 337.17688 194.1
[M+CH3COO]- 351.19253 209.5
[M+Na-2H]- 313.15335 172.9
[M]+ 292.17813 173.9
[M]- 292.17923 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.