CID 505555

Tert-butyl 4-[(3-fluorophenyl)methyl-(2-naphthylmethyl)amino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C26H26FNO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1=CC(=CC=C1)F)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C26H26FNO4/c1-26(2,3)32-25(31)23(29)15-24(30)28(16-18-7-6-10-22(27)14-18)17-19-11-12-20-8-4-5-9-21(20)13-19/h4-14H,15-17H2,1-3H3
InChIKey
LBCJYLTYLPTMHF-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(3-fluorophenyl)methyl-(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1846 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.19188 206.1
[M+Na]+ 458.17382 209.7
[M-H]- 434.17732 212.5
[M+NH4]+ 453.21842 216.0
[M+K]+ 474.14776 206.7
[M+H-H2O]+ 418.18186 195.6
[M+HCOO]- 480.18280 223.0
[M+CH3COO]- 494.19845 235.4
[M+Na-2H]- 456.15927 206.2
[M]+ 435.18405 209.1
[M]- 435.18515 209.1
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.