CID 18881

Inosine oxime

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NO
InChI
InChI=1S/C10H13N5O5/c16-1-4-6(17)7(18)10(20-4)15-3-13-5-8(14-19)11-2-12-9(5)15/h2-4,6-7,10,16-19H,1H2,(H,11,12,14)/t4-,6-,7-,10-/m1/s1
InChIKey
QROZCFCNYCVEDO-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5R)-2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

272
Patents

283.09167 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.098946 158.8
[M+Na]+ 306.080888 168.2
[M-H]- 282.084394 158.7
[M+NH4]+ 301.125493 169.9
[M+K]+ 322.054828 165.4
[M+H-H2O]+ 266.088930 151.3
[M+HCOO]- 328.089871 174.1
[M+CH3COO]- 342.105521 169.1
[M+Na-2H]- 304.066336 161.4
[M]+ 283.09112142 159.5
[M]- 283.09221858 159.5
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

patents stripe