CID 6478557

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

Structural Information

Molecular Formula
C24H27NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(C/C=C/C1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C24H27NO4/c1-24(2,3)29-23(28)21(26)17-22(27)25(18-20-13-8-5-9-14-20)16-10-15-19-11-6-4-7-12-19/h4-15H,16-18H2,1-3H3/b15-10+
InChIKey
VHNHTAMRTSLLHW-XNTDXEJSSA-N
Compound name
tert-butyl 4-[benzyl-[(E)-3-phenylprop-2-enyl]amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.194 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20128 197.6
[M+Na]+ 416.18322 199.7
[M-H]- 392.18672 204.1
[M+NH4]+ 411.22782 208.2
[M+K]+ 432.15716 197.1
[M+H-H2O]+ 376.19126 188.4
[M+HCOO]- 438.19220 217.1
[M+CH3COO]- 452.20785 225.2
[M+Na-2H]- 414.16867 197.5
[M]+ 393.19345 200.9
[M]- 393.19455 200.9
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.