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]+ 283.16524 167.4
[M+Na]+ 305.14718 172.9
[M-H]- 281.15068 171.2
[M+NH4]+ 300.19178 182.7
[M+K]+ 321.12112 171.6
[M+H-H2O]+ 265.15522 161.3
[M+HCOO]- 327.15616 185.1
[M+CH3COO]- 341.17181 199.2
[M+Na-2H]- 303.13263 164.2
[M]+ 282.15741 167.1
[M]- 282.15851 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.