CID 5748863

3-(o-((2-(dimethylamino)ethyl)carbamoyl)phenyl)-2-hydroxy-3-phenylacrylic acid

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CN(C)CCNC(=O)C1=CC=CC=C1/C(=C(\C(=O)O)/O)/C2=CC=CC=C2
InChI
InChI=1S/C20H22N2O4/c1-22(2)13-12-21-19(24)16-11-7-6-10-15(16)17(18(23)20(25)26)14-8-4-3-5-9-14/h3-11,23H,12-13H2,1-2H3,(H,21,24)(H,25,26)/b18-17+
InChIKey
OSFNJLFAXWUPEO-ISLYRVAYSA-N
Compound name
(E)-3-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.15796 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 185.2
[M+Na]+ 377.14718 186.9
[M-H]- 353.15068 189.6
[M+NH4]+ 372.19178 195.6
[M+K]+ 393.12112 184.5
[M+H-H2O]+ 337.15522 176.4
[M+HCOO]- 399.15616 204.4
[M+CH3COO]- 413.17181 218.0
[M+Na-2H]- 375.13263 183.8
[M]+ 354.15741 183.7
[M]- 354.15851 183.7
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.