CID 6449060

Butanoic acid, 4-((2-((4-ethoxybenzoyl)amino)-1-oxo-3-phenyl-2-propenyl)amino)-

Structural Information

Molecular Formula
C22H24N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=CC=C2)/C(=O)NCCCC(=O)O
InChI
InChI=1S/C22H24N2O5/c1-2-29-18-12-10-17(11-13-18)21(27)24-19(15-16-7-4-3-5-8-16)22(28)23-14-6-9-20(25)26/h3-5,7-8,10-13,15H,2,6,9,14H2,1H3,(H,23,28)(H,24,27)(H,25,26)/b19-15-
InChIKey
ZSVALJLSOFXGSV-CYVLTUHYSA-N
Compound name
4-[[(Z)-2-[(4-ethoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.16852 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.175796 195.7
[M+Na]+ 419.157738 196.9
[M-H]- 395.161244 199.6
[M+NH4]+ 414.202343 204.2
[M+K]+ 435.131678 193.6
[M+H-H2O]+ 379.165780 186.1
[M+HCOO]- 441.166721 215.5
[M+CH3COO]- 455.182371 223.8
[M+Na-2H]- 417.143186 194.6
[M]+ 396.16797142 196.1
[M]- 396.16906858 196.1
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

patents stripe