CID 5748860

3-(o-((3-(diethylamino)propyl)carbamoyl)phenyl)-2-hydroxy-3-phenylacrylic acid

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CCN(CC)CCCNC(=O)C1=CC=CC=C1/C(=C(/C(=O)O)\O)/C2=CC=CC=C2
InChI
InChI=1S/C23H28N2O4/c1-3-25(4-2)16-10-15-24-22(27)19-14-9-8-13-18(19)20(21(26)23(28)29)17-11-6-5-7-12-17/h5-9,11-14,26H,3-4,10,15-16H2,1-2H3,(H,24,27)(H,28,29)/b21-20-
InChIKey
SODKWJLSBALYMP-MRCUWXFGSA-N
Compound name
(Z)-3-[2-[3-(diethylamino)propylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 198.1
[M+Na]+ 419.19412 205.7
[M+NH4]+ 414.23872 201.9
[M+K]+ 435.16806 201.3
[M-H]- 395.19762 200.0
[M+Na-2H]- 417.17957 202.1
[M]+ 396.20435 199.1
[M]- 396.20545 199.1
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.