CID 49768278

4-(3-hydroxy-4-phenoxycarbonyl-anilino)-4-oxo-butanoic acid

Structural Information

Molecular Formula
C17H15NO6
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)NC(=O)CCC(=O)O)O
InChI
InChI=1S/C17H15NO6/c19-14-10-11(18-15(20)8-9-16(21)22)6-7-13(14)17(23)24-12-4-2-1-3-5-12/h1-7,10,19H,8-9H2,(H,18,20)(H,21,22)
InChIKey
LVWFBRVAXDJOOP-UHFFFAOYSA-N
Compound name
4-(3-hydroxy-4-phenoxycarbonylanilino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 173.0
[M+Na]+ 352.07916 177.6
[M-H]- 328.08266 176.9
[M+NH4]+ 347.12376 184.3
[M+K]+ 368.05310 175.2
[M+H-H2O]+ 312.08720 164.8
[M+HCOO]- 374.08814 193.1
[M+CH3COO]- 388.10379 205.4
[M+Na-2H]- 350.06461 174.2
[M]+ 329.08939 173.8
[M]- 329.09049 173.8
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.