CID 16077373

(2r)-n-[(1s)-1-(dimethylcarbamoyl)-2,2-dimethyl-propyl]-2-[[hydroxy(vinyl)amino]methyl]hexanamide

Structural Information

Molecular Formula
C17H33N3O3
SMILES
CCCC[C@H](CN(C=C)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C17H33N3O3/c1-8-10-11-13(12-20(23)9-2)15(21)18-14(17(3,4)5)16(22)19(6)7/h9,13-14,23H,2,8,10-12H2,1,3-7H3,(H,18,21)/t13-,14-/m1/s1
InChIKey
JAVBVJVWWFMGLN-ZIAGYGMSSA-N
Compound name
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[ethenyl(hydroxy)amino]methyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

327.2522 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.25948 185.5
[M+Na]+ 350.24142 186.1
[M-H]- 326.24492 186.0
[M+NH4]+ 345.28602 208.0
[M+K]+ 366.21536 187.5
[M+H-H2O]+ 310.24946 178.7
[M+HCOO]- 372.25040 204.2
[M+CH3COO]- 386.26605 224.5
[M+Na-2H]- 348.22687 181.8
[M]+ 327.25165 188.0
[M]- 327.25275 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.