CID 5748861

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

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]+ 369.180876 189.7
[M+Na]+ 391.162818 191.0
[M-H]- 367.166324 193.9
[M+NH4]+ 386.207423 199.5
[M+K]+ 407.136758 188.4
[M+H-H2O]+ 351.170860 180.7
[M+HCOO]- 413.171801 208.6
[M+CH3COO]- 427.187451 220.9
[M+Na-2H]- 389.148266 187.8
[M]+ 368.17305142 188.6
[M]- 368.17414858 188.6
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.