CID 457957

72671-95-5

Structural Information

Molecular Formula
C10H15N3O7
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)C2C(ON=C2C(=O)N)C(=O)N)O)O)O
InChI
InChI=1S/C10H15N3O7/c11-9(17)4-3(8(10(12)18)20-13-4)7-6(16)5(15)2(1-14)19-7/h2-3,5-8,14-16H,1H2,(H2,11,17)(H2,12,18)/t2-,3?,5-,6-,7+,8?/m1/s1
InChIKey
FNKVTBLSYXYAJX-ADCNYWETSA-N
Compound name
4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1,2-oxazole-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.091 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09828 162.7
[M+Na]+ 312.08022 167.8
[M-H]- 288.08372 165.3
[M+NH4]+ 307.12482 174.3
[M+K]+ 328.05416 168.2
[M+H-H2O]+ 272.08826 156.8
[M+HCOO]- 334.08920 177.9
[M+CH3COO]- 348.10485 199.5
[M+Na-2H]- 310.06567 159.3
[M]+ 289.09045 159.7
[M]- 289.09155 159.7
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.