CID 6448405

86867-11-0

Structural Information

Molecular Formula
C13H13NO5
SMILES
CCOC(=O)NC1=CC=C(C=C1)C(=O)/C=C/C(=O)O
InChI
InChI=1S/C13H13NO5/c1-2-19-13(18)14-10-5-3-9(4-6-10)11(15)7-8-12(16)17/h3-8H,2H2,1H3,(H,14,18)(H,16,17)/b8-7+
InChIKey
VXGYOBICIJPEIK-BQYQJAHWSA-N
Compound name
(E)-4-[4-(ethoxycarbonylamino)phenyl]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.07938 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 158.8
[M+Na]+ 286.06860 167.2
[M+NH4]+ 281.11320 163.1
[M+K]+ 302.04254 163.9
[M-H]- 262.07210 157.5
[M+Na-2H]- 284.05405 161.5
[M]+ 263.07883 159.0
[M]- 263.07993 159.0
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

patents stripe