CID 6478555

Tert-butyl 4-(n-[(e)-cinnamyl]anilino)-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C23H25NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(C/C=C/C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H25NO4/c1-23(2,3)28-22(27)20(25)17-21(26)24(19-14-8-5-9-15-19)16-10-13-18-11-6-4-7-12-18/h4-15H,16-17H2,1-3H3/b13-10+
InChIKey
OTLALRADGKRTIK-JLHYYAGUSA-N
Compound name
tert-butyl 2,4-dioxo-4-(N-[(E)-3-phenylprop-2-enyl]anilino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 193.0
[M+Na]+ 402.16756 195.5
[M-H]- 378.17106 199.7
[M+NH4]+ 397.21216 204.1
[M+K]+ 418.14150 193.2
[M+H-H2O]+ 362.17560 183.9
[M+HCOO]- 424.17654 212.9
[M+CH3COO]- 438.19219 222.3
[M+Na-2H]- 400.15301 193.4
[M]+ 379.17779 196.0
[M]- 379.17889 196.0
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.