CID 505599

Tert-butyl 4-[2-ethoxy-n-(2-naphthylmethyl)anilino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C27H29NO5
SMILES
CCOC1=CC=CC=C1N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C27H29NO5/c1-5-32-24-13-9-8-12-22(24)28(25(30)17-23(29)26(31)33-27(2,3)4)18-19-14-15-20-10-6-7-11-21(20)16-19/h6-16H,5,17-18H2,1-4H3
InChIKey
XQWSFBUMQBDVBR-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-ethoxy-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.20456 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.21184 209.9
[M+Na]+ 470.19378 212.8
[M-H]- 446.19728 217.5
[M+NH4]+ 465.23838 219.3
[M+K]+ 486.16772 210.9
[M+H-H2O]+ 430.20182 200.0
[M+HCOO]- 492.20276 227.8
[M+CH3COO]- 506.21841 237.8
[M+Na-2H]- 468.17923 210.4
[M]+ 447.20401 215.7
[M]- 447.20511 215.7
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.