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]+ 283.12886 164.8
[M+Na]+ 305.11080 169.7
[M-H]- 281.11430 168.6
[M+NH4]+ 300.15540 179.6
[M+K]+ 321.08474 169.3
[M+H-H2O]+ 265.11884 158.7
[M+HCOO]- 327.11978 182.3
[M+CH3COO]- 341.13543 196.8
[M+Na-2H]- 303.09625 161.8
[M]+ 282.12103 163.8
[M]- 282.12213 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.