CID 505938

Carboxamide deriv. 4e

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)N(C)C)C(=O)O)N
InChI
InChI=1S/C11H17N3O5/c1-5(15)13-8-6(12)4-7(11(17)18)19-9(8)10(16)14(2)3/h4,6,8-9H,12H2,1-3H3,(H,13,15)(H,17,18)/t6-,8+,9+/m0/s1
InChIKey
YBJOBBMCPNXAPT-NBEYISGCSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-amino-2-(dimethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

271.11682 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 162.2
[M+Na]+ 294.10604 166.5
[M-H]- 270.10954 166.0
[M+NH4]+ 289.15064 175.9
[M+K]+ 310.07998 168.3
[M+H-H2O]+ 254.11408 155.1
[M+HCOO]- 316.11502 182.2
[M+CH3COO]- 330.13067 207.5
[M+Na-2H]- 292.09149 161.3
[M]+ 271.11627 160.8
[M]- 271.11737 160.8
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.