CID 6449061

6-((2-((4-ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)amino)hexanoic acid

Structural Information

Molecular Formula
C24H28N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCCCCCC(=O)O
InChI
InChI=1S/C24H28N2O5/c1-2-31-20-14-12-19(13-15-20)23(29)26-21(17-18-9-5-3-6-10-18)24(30)25-16-8-4-7-11-22(27)28/h3,5-6,9-10,12-15,17H,2,4,7-8,11,16H2,1H3,(H,25,30)(H,26,29)(H,27,28)/b21-17-
InChIKey
IZXAGYRAJDEHOO-FXBPSFAMSA-N
Compound name
6-[[(Z)-2-[(4-ethoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.19983 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20711 204.5
[M+Na]+ 447.18905 204.8
[M-H]- 423.19255 208.0
[M+NH4]+ 442.23365 211.8
[M+K]+ 463.16299 201.1
[M+H-H2O]+ 407.19709 194.5
[M+HCOO]- 469.19803 223.6
[M+CH3COO]- 483.21368 229.6
[M+Na-2H]- 445.17450 202.4
[M]+ 424.19928 205.5
[M]- 424.20038 205.5
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.