CID 6478529

4-(n-[(e)-cinnamyl]anilino)-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C19H17NO4
SMILES
C1=CC=C(C=C1)/C=C/CN(C2=CC=CC=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C19H17NO4/c21-17(19(23)24)14-18(22)20(16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-12H,13-14H2,(H,23,24)/b10-7+
InChIKey
XZLPCWSLPSKXFP-JXMROGBWSA-N
Compound name
2,4-dioxo-4-(N-[(E)-3-phenylprop-2-enyl]anilino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 176.1
[M+Na]+ 346.104968 179.3
[M-H]- 322.108474 181.8
[M+NH4]+ 341.149573 188.5
[M+K]+ 362.078908 176.4
[M+H-H2O]+ 306.113010 167.3
[M+HCOO]- 368.113951 197.3
[M+CH3COO]- 382.129601 209.1
[M+Na-2H]- 344.090416 177.1
[M]+ 323.11520142 176.3
[M]- 323.11629858 176.3
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.