CID 505605

Tert-butyl 4-[methyl(3-phenylpropyl)amino]-2,4-dioxobutanoate

Structural Information

Molecular Formula
C18H25NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(C)CCCC1=CC=CC=C1
InChI
InChI=1S/C18H25NO4/c1-18(2,3)23-17(22)15(20)13-16(21)19(4)12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKey
FUJMYFQJTQNMJE-UHFFFAOYSA-N
Compound name
tert-butyl 4-[methyl(3-phenylpropyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18562 177.5
[M+Na]+ 342.16756 180.9
[M-H]- 318.17106 181.5
[M+NH4]+ 337.21216 191.9
[M+K]+ 358.14150 180.6
[M+H-H2O]+ 302.17560 170.2
[M+HCOO]- 364.17654 197.6
[M+CH3COO]- 378.19219 213.1
[M+Na-2H]- 340.15301 178.0
[M]+ 319.17779 182.3
[M]- 319.17889 182.3
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.