CID 506009

Carboxamide deriv. 4b

Structural Information

Molecular Formula
C11H17N3O6
SMILES
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1C(=O)NCCO)C(=O)O)N
InChI
InChI=1S/C11H17N3O6/c1-5(16)14-8-6(12)4-7(11(18)19)20-9(8)10(17)13-2-3-15/h4,6,8-9,15H,2-3,12H2,1H3,(H,13,17)(H,14,16)(H,18,19)/t6-,8+,9+/m0/s1
InChIKey
HCUJGMBMEGUYNG-NBEYISGCSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-amino-2-(2-hydroxyethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.11172 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11900 164.6
[M+Na]+ 310.10094 168.0
[M-H]- 286.10444 165.4
[M+NH4]+ 305.14554 176.0
[M+K]+ 326.07488 168.3
[M+H-H2O]+ 270.10898 157.3
[M+HCOO]- 332.10992 182.7
[M+CH3COO]- 346.12557 204.7
[M+Na-2H]- 308.08639 164.0
[M]+ 287.11117 161.5
[M]- 287.11227 161.5
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.