CID 25181042

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

Structural Information

Molecular Formula
C12H11NO6
SMILES
COC(=O)C1=C(C=C(C=C1)NC(=O)/C=C\C(=O)O)O
InChI
InChI=1S/C12H11NO6/c1-19-12(18)8-3-2-7(6-9(8)14)13-10(15)4-5-11(16)17/h2-6,14H,1H3,(H,13,15)(H,16,17)/b5-4-
InChIKey
TVSOQKJTVITMBL-PLNGDYQASA-N
Compound name
(Z)-4-(3-hydroxy-4-methoxycarbonylanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.05862 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06590 155.1
[M+Na]+ 288.04784 161.3
[M-H]- 264.05134 156.3
[M+NH4]+ 283.09244 169.7
[M+K]+ 304.02178 159.6
[M+H-H2O]+ 248.05588 148.7
[M+HCOO]- 310.05682 175.8
[M+CH3COO]- 324.07247 192.9
[M+Na-2H]- 286.03329 156.2
[M]+ 265.05807 156.0
[M]- 265.05917 156.0
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.