CID 5748858

Acrylic acid, 2-hydroxy-3-(o-((2-morpholinoethyl)carbamoyl)phenyl)-3-phenyl-

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]+ 397.175796 193.9
[M+Na]+ 419.157738 193.6
[M-H]- 395.161244 198.4
[M+NH4]+ 414.202343 198.7
[M+K]+ 435.131678 190.8
[M+H-H2O]+ 379.165780 183.6
[M+HCOO]- 441.166721 205.9
[M+CH3COO]- 455.182371 218.2
[M+Na-2H]- 417.143186 192.7
[M]+ 396.16797142 188.4
[M]- 396.16906858 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.