CID 505585

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

Structural Information

Molecular Formula
C23H29NO4
SMILES
CC(C)CN(CC1=CC2=CC=CC=C2C=C1)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C23H29NO4/c1-16(2)14-24(21(26)13-20(25)22(27)28-23(3,4)5)15-17-10-11-18-8-6-7-9-19(18)12-17/h6-12,16H,13-15H2,1-5H3
InChIKey
FRISURUBAQAQSY-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-methylpropyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 194.3
[M+Na]+ 406.19888 197.1
[M-H]- 382.20238 198.8
[M+NH4]+ 401.24348 206.9
[M+K]+ 422.17282 196.1
[M+H-H2O]+ 366.20692 186.6
[M+HCOO]- 428.20786 211.3
[M+CH3COO]- 442.22351 227.6
[M+Na-2H]- 404.18433 193.8
[M]+ 383.20911 199.3
[M]- 383.21021 199.3
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.