CID 513280

Chembl3350285

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CCN(CC)C(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@@H](CN2)O)O)C
InChI
InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12+,13-/m1/s1
InChIKey
JMGMYORMUHCVGM-KGYLQXTDSA-N
Compound name
5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.15796 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 167.4
[M+Na]+ 305.147178 172.9
[M-H]- 281.150684 171.2
[M+NH4]+ 300.191783 182.7
[M+K]+ 321.121118 171.6
[M+H-H2O]+ 265.155220 161.3
[M+HCOO]- 327.156161 185.1
[M+CH3COO]- 341.171811 199.2
[M+Na-2H]- 303.132626 164.2
[M]+ 282.15741142 167.1
[M]- 282.15850858 167.1
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.