CID 505597

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

Structural Information

Molecular Formula
C26H27NO5
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H27NO5/c1-26(2,3)32-25(30)23(28)16-24(29)27(21-11-13-22(31-4)14-12-21)17-18-9-10-19-7-5-6-8-20(19)15-18/h5-15H,16-17H2,1-4H3
InChIKey
PEZSUSGFCHDKCH-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-methoxy-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.18893 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19621 205.3
[M+Na]+ 456.17815 208.6
[M-H]- 432.18165 213.1
[M+NH4]+ 451.22275 215.2
[M+K]+ 472.15209 206.9
[M+H-H2O]+ 416.18619 195.6
[M+HCOO]- 478.18713 223.5
[M+CH3COO]- 492.20278 234.9
[M+Na-2H]- 454.16360 206.3
[M]+ 433.18838 210.7
[M]- 433.18948 210.7
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.