CID 490480

(3s,4r)-3-acetamido-4-(diethylcarbamoyl)-3,4-dihydro-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CCN(CC)C(=O)[C@@H]1C=C(OC[C@H]1NC(=O)C)C(=O)O
InChI
InChI=1S/C13H20N2O5/c1-4-15(5-2)12(17)9-6-11(13(18)19)20-7-10(9)14-8(3)16/h6,9-10H,4-5,7H2,1-3H3,(H,14,16)(H,18,19)/t9-,10-/m1/s1
InChIKey
LUWXHZSTQOAAAT-NXEZZACHSA-N
Compound name
(3S,4R)-3-acetamido-4-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 166.4
[M+Na]+ 307.12642 169.8
[M-H]- 283.12992 170.0
[M+NH4]+ 302.17102 179.9
[M+K]+ 323.10036 171.3
[M+H-H2O]+ 267.13446 159.3
[M+HCOO]- 329.13540 185.5
[M+CH3COO]- 343.15105 207.1
[M+Na-2H]- 305.11187 166.0
[M]+ 284.13665 167.2
[M]- 284.13775 167.2
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.