CID 5748862

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

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCN(CC)CCNC(=O)C1=CC=CC=C1/C(=C(\C(=O)O)/O)/C2=CC=CC=C2
InChI
InChI=1S/C22H26N2O4/c1-3-24(4-2)15-14-23-21(26)18-13-9-8-12-17(18)19(20(25)22(27)28)16-10-6-5-7-11-16/h5-13,25H,3-4,14-15H2,1-2H3,(H,23,26)(H,27,28)/b20-19+
InChIKey
ISAFHNAEZDPEFI-FMQUCBEESA-N
Compound name
(E)-3-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-hydroxy-3-phenylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 193.8
[M+Na]+ 405.17849 201.6
[M+NH4]+ 400.22309 197.8
[M+K]+ 421.15243 197.4
[M-H]- 381.18199 195.7
[M+Na-2H]- 403.16394 198.0
[M]+ 382.18872 194.8
[M]- 382.18982 194.8
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.