CID 505592

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

Structural Information

Molecular Formula
C24H24N2O4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC2=CC=CC=C2C=C1)C3=CC=CC=N3
InChI
InChI=1S/C24H24N2O4/c1-24(2,3)30-23(29)20(27)15-22(28)26(21-10-6-7-13-25-21)16-17-11-12-18-8-4-5-9-19(18)14-17/h4-14H,15-16H2,1-3H3
InChIKey
ZWNJZTKADQWVSK-UHFFFAOYSA-N
Compound name
tert-butyl 4-[naphthalen-2-ylmethyl(pyridin-2-yl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1736 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18088 197.6
[M+Na]+ 427.16282 201.1
[M-H]- 403.16632 204.1
[M+NH4]+ 422.20742 207.2
[M+K]+ 443.13676 198.7
[M+H-H2O]+ 387.17086 187.4
[M+HCOO]- 449.17180 215.1
[M+CH3COO]- 463.18745 228.3
[M+Na-2H]- 425.14827 200.5
[M]+ 404.17305 201.1
[M]- 404.17415 201.1
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.