CID 49768283

(z)-4-(3-hydroxy-4-phenoxycarbonyl-anilino)-4-oxo-but-2-enoic acid

Structural Information

Molecular Formula
C17H13NO6
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)NC(=O)/C=C\C(=O)O)O
InChI
InChI=1S/C17H13NO6/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/h1-10,19H,(H,18,20)(H,21,22)/b9-8-
InChIKey
MLRZOKXSYZUMFY-HJWRWDBZSA-N
Compound name
(Z)-4-(3-hydroxy-4-phenoxycarbonylanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07428 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08156 172.1
[M+Na]+ 350.06350 177.1
[M-H]- 326.06700 176.1
[M+NH4]+ 345.10810 183.5
[M+K]+ 366.03744 174.1
[M+H-H2O]+ 310.07154 164.0
[M+HCOO]- 372.07248 192.4
[M+CH3COO]- 386.08813 204.0
[M+Na-2H]- 348.04895 173.3
[M]+ 327.07373 172.2
[M]- 327.07483 172.2
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.