CID 497961

Carbamic acid, [(1s)-4-(dimethylamino)-4-oxo-1-[[(1-oxo-4-phenylbutyl)amino]acetyl]butyl]-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C23H35N3O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CNC(=O)CCCC1=CC=CC=C1
InChI
InChI=1S/C23H35N3O5/c1-23(2,3)31-22(30)25-18(14-15-21(29)26(4)5)19(27)16-24-20(28)13-9-12-17-10-7-6-8-11-17/h6-8,10-11,18H,9,12-16H2,1-5H3,(H,24,28)(H,25,30)/t18-/m0/s1
InChIKey
IIIVGOBRKWTEMB-SFHVURJKSA-N
Compound name
tert-butyl N-[(3S)-6-(dimethylamino)-2,6-dioxo-1-(4-phenylbutanoylamino)hexan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.25766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.26494 209.1
[M+Na]+ 456.24688 208.1
[M-H]- 432.25038 212.1
[M+NH4]+ 451.29148 217.7
[M+K]+ 472.22082 208.7
[M+H-H2O]+ 416.25492 200.2
[M+HCOO]- 478.25586 228.0
[M+CH3COO]- 492.27151 239.9
[M+Na-2H]- 454.23233 205.9
[M]+ 433.25711 213.3
[M]- 433.25821 213.3
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.