CID 3006933

Chembl3302603

Structural Information

Molecular Formula

C₁₁H₁₇N₅O₅

SMILES

C1C(CN=C(N1)C2=NN(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C11H17N5O5/c17-3-6-7(19)8(20)11(21-6)16-4-14-10(15-16)9-12-1-5(18)2-13-9/h4-8,11,17-20H,1-3H2,(H,12,13)/t6-,7-,8-,11-/m1/s1

InChIKey

CIUGSIWIXGXLQZ-KCGFPETGSA-N

Compound name

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[3-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 299.12296 Da
Monoisotopic Mass: -3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.130236	168.2
[M+Na]+	322.112178	174.6
[M-H]-	298.115684	166.7
[M+NH4]+	317.156783	175.3
[M+K]+	338.086118	171.1
[M+H-H2O]+	282.120220	159.5
[M+HCOO]-	344.121161	176.5
[M+CH3COO]-	358.136811	175.8
[M+Na-2H]-	320.097626	165.1
[M]+	299.12241142	163.0
[M]-	299.12350858	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.