CID 497962

(4s)-4-[(tert-butoxy)carbonylamino]-n,n-dimethyl-5-oxo-6-[(phenylmethoxy)carbonylamino]hexanamide

Structural Information

Molecular Formula
C21H31N3O6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C21H31N3O6/c1-21(2,3)30-20(28)23-16(11-12-18(26)24(4)5)17(25)13-22-19(27)29-14-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3,(H,22,27)(H,23,28)/t16-/m0/s1
InChIKey
NVZOFMVFPORIGL-INIZCTEOSA-N
Compound name
tert-butyl N-[(3S)-6-(dimethylamino)-2,6-dioxo-1-(phenylmethoxycarbonylamino)hexan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.22128 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.22856 202.5
[M+Na]+ 444.21050 202.2
[M-H]- 420.21400 205.8
[M+NH4]+ 439.25510 211.6
[M+K]+ 460.18444 204.0
[M+H-H2O]+ 404.21854 193.7
[M+HCOO]- 466.21948 222.2
[M+CH3COO]- 480.23513 235.6
[M+Na-2H]- 442.19595 200.5
[M]+ 421.22073 207.3
[M]- 421.22183 207.3
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.