CID 505583

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

Structural Information

Molecular Formula
C26H33NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CC1CCCCC1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C26H33NO4/c1-26(2,3)31-25(30)23(28)16-24(29)27(17-19-9-5-4-6-10-19)18-20-13-14-21-11-7-8-12-22(21)15-20/h7-8,11-15,19H,4-6,9-10,16-18H2,1-3H3
InChIKey
QIDDWONEEKJKID-UHFFFAOYSA-N
Compound name
tert-butyl 4-[cyclohexylmethyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.24097 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.24825 204.2
[M+Na]+ 446.23019 203.9
[M-H]- 422.23369 210.3
[M+NH4]+ 441.27479 214.2
[M+K]+ 462.20413 201.7
[M+H-H2O]+ 406.23823 194.9
[M+HCOO]- 468.23917 218.0
[M+CH3COO]- 482.25482 232.7
[M+Na-2H]- 444.21564 202.9
[M]+ 423.24042 203.6
[M]- 423.24152 203.6
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.