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

literature stripe

Patent stripe

patents stripe