CID 445650

4-(4-styryl-phenylcarbamoyl)-butyric acid

Structural Information

Molecular Formula
C19H19NO3
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)NC(=O)CCCC(=O)O
InChI
InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+
InChIKey
FTXJWRRYLLRFMG-MDZDMXLPSA-N
Compound name
5-oxo-5-[4-[(E)-2-phenylethenyl]anilino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

309.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 174.1
[M+Na]+ 332.12572 178.3
[M-H]- 308.12922 178.6
[M+NH4]+ 327.17032 187.1
[M+K]+ 348.09966 173.3
[M+H-H2O]+ 292.13376 165.7
[M+HCOO]- 354.13470 195.5
[M+CH3COO]- 368.15035 204.7
[M+Na-2H]- 330.11117 176.2
[M]+ 309.13595 173.4
[M]- 309.13705 173.4
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.