CID 497964

Tert-butyl n-[(1s)-4-(dimethylamino)-4-oxo-1-(2-phenoxyacetyl)butyl]carbamate

Structural Information

Molecular Formula
C19H28N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(C)C)C(=O)COC1=CC=CC=C1
InChI
InChI=1S/C19H28N2O5/c1-19(2,3)26-18(24)20-15(11-12-17(23)21(4)5)16(22)13-25-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKey
FUBKOOMDBJZPQY-HNNXBMFYSA-N
Compound name
tert-butyl N-[(3S)-6-(dimethylamino)-2,6-dioxo-1-phenoxyhexan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.19983 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20711 188.8
[M+Na]+ 387.18905 190.4
[M-H]- 363.19255 192.5
[M+NH4]+ 382.23365 200.7
[M+K]+ 403.16299 191.4
[M+H-H2O]+ 347.19709 180.8
[M+HCOO]- 409.19803 208.8
[M+CH3COO]- 423.21368 223.5
[M+Na-2H]- 385.17450 188.1
[M]+ 364.19928 193.8
[M]- 364.20038 193.8
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.