CID 505542

Tert-butyl 4-[3-(dimethylcarbamoyl)-n-(2-naphthylmethyl)anilino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C28H30N2O5
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC=CC(=C3)C(=O)N(C)C
InChI
InChI=1S/C28H30N2O5/c1-28(2,3)35-27(34)24(31)17-25(32)30(23-12-8-11-22(16-23)26(33)29(4)5)18-19-13-14-20-9-6-7-10-21(20)15-19/h6-16H,17-18H2,1-5H3
InChIKey
KLYRLUQMTNCGPR-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(dimethylcarbamoyl)-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.21548 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.22276 214.8
[M+Na]+ 497.20470 216.4
[M-H]- 473.20820 223.6
[M+NH4]+ 492.24930 223.2
[M+K]+ 513.17864 216.2
[M+H-H2O]+ 457.21274 204.8
[M+HCOO]- 519.21368 233.0
[M+CH3COO]- 533.22933 248.5
[M+Na-2H]- 495.19015 213.9
[M]+ 474.21493 220.2
[M]- 474.21603 220.2
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.