CID 505933

Chembl318671

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CCNC(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C
InChI
InChI=1S/C11H17N3O5/c1-3-13-10(16)9-8(14-5(2)15)6(12)4-7(19-9)11(17)18/h4,6,8-9H,3,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t6-,8+,9+/m0/s1
InChIKey
QUVHYGBJORPKPR-NBEYISGCSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-amino-2-(ethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11682 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 162.4
[M+Na]+ 294.10604 166.5
[M-H]- 270.10954 164.7
[M+NH4]+ 289.15064 175.4
[M+K]+ 310.07998 166.8
[M+H-H2O]+ 254.11408 155.2
[M+HCOO]- 316.11502 181.9
[M+CH3COO]- 330.13067 204.3
[M+Na-2H]- 292.09149 162.1
[M]+ 271.11627 159.7
[M]- 271.11737 159.7
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.