CID 13887579

57294-74-3

Structural Information

Molecular Formula

C₉H₁₄N₄O₅

SMILES

C1=CN(C(=O)N=C1NN)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

InChI

InChI=1S/C9H14N4O5/c10-12-5-1-2-13(9(17)11-5)8-7(16)6(15)4(3-14)18-8/h1-2,4,6-8,14-16H,3,10H2,(H,11,12,17)/t4-,6-,7-,8-/m1/s1

InChIKey

RSSRMDMJEZIUJX-XVFCMESISA-N

Compound name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydrazinylpyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 1325
Patents: 258.0964 Da
Monoisotopic Mass: -2.5
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]+	259.103676	154.5
[M+Na]+	281.085618	162.3
[M-H]-	257.089124	156.0
[M+NH4]+	276.130223	166.5
[M+K]+	297.059558	160.0
[M+H-H2O]+	241.093660	146.9
[M+HCOO]-	303.094601	172.8
[M+CH3COO]-	317.110251	192.4
[M+Na-2H]-	279.071066	156.6
[M]+	258.09585142	151.9
[M]-	258.09694858	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe