CID 5748858

2-hydroxy-3-(o-((2-morpholinoethyl)carbamoyl)phenyl)-3-phenylacrylic acid

Structural Information

Molecular Formula
C22H24N2O5
SMILES
C1COCCN1CCNC(=O)C2=CC=CC=C2/C(=C(/C(=O)O)\O)/C3=CC=CC=C3
InChI
InChI=1S/C22H24N2O5/c25-20(22(27)28)19(16-6-2-1-3-7-16)17-8-4-5-9-18(17)21(26)23-10-11-24-12-14-29-15-13-24/h1-9,25H,10-15H2,(H,23,26)(H,27,28)/b20-19-
InChIKey
IBIZGJMOPOWKOU-VXPUYCOJSA-N
Compound name
(Z)-2-hydroxy-3-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16852 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 193.9
[M+Na]+ 419.15774 193.6
[M-H]- 395.16124 198.4
[M+NH4]+ 414.20234 198.7
[M+K]+ 435.13168 190.8
[M+H-H2O]+ 379.16578 183.6
[M+HCOO]- 441.16672 205.9
[M+CH3COO]- 455.18237 218.2
[M+Na-2H]- 417.14319 192.7
[M]+ 396.16797 188.4
[M]- 396.16907 188.4
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.