CID 5276347

(2s,3s,4s)-1-(furan-3-carbonyl)-3,4-dihydroxy-n-isopropyl-pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C)NC(=O)[C@@H]1[C@@H]([C@H](CN1C(=O)C2=COC=C2)O)O
InChI
InChI=1S/C13H18N2O5/c1-7(2)14-12(18)10-11(17)9(16)5-15(10)13(19)8-3-4-20-6-8/h3-4,6-7,9-11,16-17H,5H2,1-2H3,(H,14,18)/t9-,10-,11+/m0/s1
InChIKey
OOHUDPYJGDLGMS-GARJFASQSA-N
Compound name
(2S,3S,4S)-1-(furan-3-carbonyl)-3,4-dihydroxy-N-propan-2-ylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.12158 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.128856 164.8
[M+Na]+ 305.110798 169.7
[M-H]- 281.114304 168.6
[M+NH4]+ 300.155403 179.6
[M+K]+ 321.084738 169.3
[M+H-H2O]+ 265.118840 158.7
[M+HCOO]- 327.119781 182.3
[M+CH3COO]- 341.135431 196.8
[M+Na-2H]- 303.096246 161.8
[M]+ 282.12103142 163.8
[M]- 282.12212858 163.8
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.