CID 5748860

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

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]+ 397.212176 198.7
[M+Na]+ 419.194118 199.0
[M-H]- 395.197624 202.4
[M+NH4]+ 414.238723 207.3
[M+K]+ 435.168058 196.0
[M+H-H2O]+ 379.202160 189.3
[M+HCOO]- 441.203101 216.8
[M+CH3COO]- 455.218751 226.8
[M+Na-2H]- 417.179566 195.7
[M]+ 396.20435142 198.2
[M]- 396.20544858 198.2
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.