CID 505932

Chembl100637

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)NC)C(=O)O)N
InChI
InChI=1S/C10H15N3O5/c1-4(14)13-7-5(11)3-6(10(16)17)18-8(7)9(15)12-2/h3,5,7-8H,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t5-,7+,8+/m0/s1
InChIKey
FUWOAWGBBOGTCF-UIISKDMLSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-amino-2-(methylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.10117 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 157.9
[M+Na]+ 280.09039 162.4
[M-H]- 256.09389 160.3
[M+NH4]+ 275.13499 171.4
[M+K]+ 296.06433 163.0
[M+H-H2O]+ 240.09843 150.9
[M+HCOO]- 302.09937 177.7
[M+CH3COO]- 316.11502 201.3
[M+Na-2H]- 278.07584 158.1
[M]+ 257.10062 154.9
[M]- 257.10172 154.9
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.