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
2
Annotation Hits

10
References

262
Patents

283.09167 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 158.8
[M+Na]+ 306.08089 168.2
[M-H]- 282.08439 158.7
[M+NH4]+ 301.12549 169.9
[M+K]+ 322.05483 165.4
[M+H-H2O]+ 266.08893 151.3
[M+HCOO]- 328.08987 174.1
[M+CH3COO]- 342.10552 169.1
[M+Na-2H]- 304.06634 161.4
[M]+ 283.09112 159.5
[M]- 283.09222 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.