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]+ 293.113206 164.1
[M+Na]+ 315.095148 169.1
[M-H]- 291.098654 166.8
[M+NH4]+ 310.139753 177.8
[M+K]+ 331.069088 166.3
[M+H-H2O]+ 275.103190 156.7
[M+HCOO]- 337.104131 182.6
[M+CH3COO]- 351.119781 199.0
[M+Na-2H]- 313.080596 163.3
[M]+ 292.10538142 162.2
[M]- 292.10647858 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.