CID 5748861

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

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CN(C)CCCNC(=O)C1=CC=CC=C1/C(=C(/C(=O)O)\O)/C2=CC=CC=C2
InChI
InChI=1S/C21H24N2O4/c1-23(2)14-8-13-22-20(25)17-12-7-6-11-16(17)18(19(24)21(26)27)15-9-4-3-5-10-15/h3-7,9-12,24H,8,13-14H2,1-2H3,(H,22,25)(H,26,27)/b19-18-
InChIKey
ZSCGVUYITXDZBF-HNENSFHCSA-N
Compound name
(Z)-3-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 189.4
[M+Na]+ 391.16282 197.5
[M+NH4]+ 386.20742 193.6
[M+K]+ 407.13676 193.5
[M-H]- 367.16632 191.3
[M+Na-2H]- 389.14827 193.9
[M]+ 368.17305 190.5
[M]- 368.17415 190.5
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.