CID 46937145

Db08378

Structural Information

Molecular Formula
C14H16N2O5
SMILES
C1CC(=O)N(C1=O)C2=CC=C(C=C2)N[C@H](CCC(=O)O)O
InChI
InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1
InChIKey
SUETUOGYOWOLNJ-NSHDSACASA-N
Compound name
(4S)-4-[4-(2,5-dioxopyrrolidin-1-yl)anilino]-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 164.1
[M+Na]+ 315.09515 169.1
[M-H]- 291.09865 166.8
[M+NH4]+ 310.13975 177.8
[M+K]+ 331.06909 166.3
[M+H-H2O]+ 275.10319 156.7
[M+HCOO]- 337.10413 182.6
[M+CH3COO]- 351.11978 199.0
[M+Na-2H]- 313.08060 163.3
[M]+ 292.10538 162.2
[M]- 292.10648 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.