CID 6478556

Tert-butyl 4-[[(e)-cinnamyl]-phenethyl-amino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C25H29NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CCC1=CC=CC=C1)C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C25H29NO4/c1-25(2,3)30-24(29)22(27)19-23(28)26(18-16-21-13-8-5-9-14-21)17-10-15-20-11-6-4-7-12-20/h4-15H,16-19H2,1-3H3/b15-10+
InChIKey
STPFRSQASXPUJX-XNTDXEJSSA-N
Compound name
tert-butyl 2,4-dioxo-4-[2-phenylethyl-[(E)-3-phenylprop-2-enyl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21694 202.2
[M+Na]+ 430.19888 203.8
[M-H]- 406.20238 208.5
[M+NH4]+ 425.24348 212.2
[M+K]+ 446.17282 201.1
[M+H-H2O]+ 390.20692 192.8
[M+HCOO]- 452.20786 221.4
[M+CH3COO]- 466.22351 228.1
[M+Na-2H]- 428.18433 201.6
[M]+ 407.20911 205.9
[M]- 407.21021 205.9
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.