CID 135483765

9-deazainosine

Structural Information

Molecular Formula
C11H13N3O5
SMILES
C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10+/m1/s1
InChIKey
WKDMPDYUJKSXBW-KBHCAIDQSA-N
Compound name
7-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

520
Patents

267.0855 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.092776 156.3
[M+Na]+ 290.074718 166.2
[M-H]- 266.078224 156.0
[M+NH4]+ 285.119323 169.1
[M+K]+ 306.048658 161.9
[M+H-H2O]+ 250.082760 150.1
[M+HCOO]- 312.083701 170.2
[M+CH3COO]- 326.099351 166.8
[M+Na-2H]- 288.060166 157.4
[M]+ 267.08495142 155.0
[M]- 267.08604858 155.0
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