CID 505573

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

Structural Information

Molecular Formula
C24H31NO4
SMILES
CC(C)CCN(CC1=CC2=CC=CC=C2C=C1)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C24H31NO4/c1-17(2)12-13-25(22(27)15-21(26)23(28)29-24(3,4)5)16-18-10-11-19-8-6-7-9-20(19)14-18/h6-11,14,17H,12-13,15-16H2,1-5H3
InChIKey
KNULMHMCYHWSFC-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-methylbutyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.2253 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23258 199.0
[M+Na]+ 420.21452 201.4
[M-H]- 396.21802 203.3
[M+NH4]+ 415.25912 211.1
[M+K]+ 436.18846 200.1
[M+H-H2O]+ 380.22256 191.1
[M+HCOO]- 442.22350 215.7
[M+CH3COO]- 456.23915 230.5
[M+Na-2H]- 418.19997 198.0
[M]+ 397.22475 204.4
[M]- 397.22585 204.4
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.