CID 505586

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

Structural Information

Molecular Formula
C26H27NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC=CC=C1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C26H27NO4/c1-26(2,3)31-25(30)23(28)16-24(29)27(17-19-9-5-4-6-10-19)18-20-13-14-21-11-7-8-12-22(21)15-20/h4-15H,16-18H2,1-3H3
InChIKey
JHNOIFPKKGMRBC-UHFFFAOYSA-N
Compound name
tert-butyl 4-[benzyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.194 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.20128 202.9
[M+Na]+ 440.18322 205.5
[M-H]- 416.18672 210.3
[M+NH4]+ 435.22782 213.3
[M+K]+ 456.15716 202.9
[M+H-H2O]+ 400.19126 193.2
[M+HCOO]- 462.19220 220.9
[M+CH3COO]- 476.20785 231.5
[M+Na-2H]- 438.16867 204.3
[M]+ 417.19345 206.5
[M]- 417.19455 206.5
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.