CID 505591

Tert-butyl 4-[(6-methyl-2-pyridyl)-(2-naphthylmethyl)amino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C25H26N2O4
SMILES
CC1=NC(=CC=C1)N(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C25H26N2O4/c1-17-8-7-11-22(26-17)27(23(29)15-21(28)24(30)31-25(2,3)4)16-18-12-13-19-9-5-6-10-20(19)14-18/h5-14H,15-16H2,1-4H3
InChIKey
MBPNOOHHNZRWPD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(6-methylpyridin-2-yl)-(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18927 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19655 202.0
[M+Na]+ 441.17849 205.9
[M-H]- 417.18199 208.7
[M+NH4]+ 436.22309 211.3
[M+K]+ 457.15243 203.4
[M+H-H2O]+ 401.18653 191.9
[M+HCOO]- 463.18747 219.1
[M+CH3COO]- 477.20312 232.5
[M+Na-2H]- 439.16394 203.7
[M]+ 418.18872 206.2
[M]- 418.18982 206.2
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.