CID 135407853

7-deazainosine

Structural Information

Molecular Formula
C11H13N3O5
SMILES
C1=CN(C2=C1C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H13N3O5/c15-3-6-7(16)8(17)11(19-6)14-2-1-5-9(14)12-4-13-10(5)18/h1-2,4,6-8,11,15-17H,3H2,(H,12,13,18)/t6-,7-,8-,11-/m1/s1
InChIKey
DPRSKJHWKNHBOW-KCGFPETGSA-N
Compound name
7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

388
Patents

267.0855 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09278 155.7
[M+Na]+ 290.07472 166.1
[M-H]- 266.07822 156.7
[M+NH4]+ 285.11932 169.2
[M+K]+ 306.04866 162.5
[M+H-H2O]+ 250.08276 149.3
[M+HCOO]- 312.08370 171.1
[M+CH3COO]- 326.09935 166.9
[M+Na-2H]- 288.06017 157.2
[M]+ 267.08495 156.2
[M]- 267.08605 156.2
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