CID 159596

Bb-3497

Structural Information

Molecular Formula
C16H31N3O4
SMILES
CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
InChIKey
AVDLWYHBABSSHC-CHWSQXEVSA-N
Compound name
(2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

16
Patents

329.23145 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.23873 183.3
[M+Na]+ 352.22067 184.2
[M-H]- 328.22417 183.9
[M+NH4]+ 347.26527 206.8
[M+K]+ 368.19461 186.4
[M+H-H2O]+ 312.22871 176.4
[M+HCOO]- 374.22965 198.5
[M+CH3COO]- 388.24530 223.7
[M+Na-2H]- 350.20612 180.3
[M]+ 329.23090 186.9
[M]- 329.23200 186.9
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

patents stripe