CID 5748863

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

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]+ 355.165236 185.2
[M+Na]+ 377.147178 186.9
[M-H]- 353.150684 189.6
[M+NH4]+ 372.191783 195.6
[M+K]+ 393.121118 184.5
[M+H-H2O]+ 337.155220 176.4
[M+HCOO]- 399.156161 204.4
[M+CH3COO]- 413.171811 218.0
[M+Na-2H]- 375.132626 183.8
[M]+ 354.15741142 183.7
[M]- 354.15850858 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.