CID 464390

N(6)me-1-deaza-2'-da

Structural Information

Molecular Formula
C12H16N4O3
SMILES
CNC1=C2C(=NC=C1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C12H16N4O3/c1-13-7-2-3-14-12-11(7)15-6-16(12)10-4-8(18)9(5-17)19-10/h2-3,6,8-10,17-18H,4-5H2,1H3,(H,13,14)/t8-,9+,10+/m0/s1
InChIKey
XZXFBEVZWYHRTC-IVZWLZJFSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

264.12225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 157.2
[M+Na]+ 287.11147 166.4
[M-H]- 263.11497 160.2
[M+NH4]+ 282.15607 171.8
[M+K]+ 303.08541 163.5
[M+H-H2O]+ 247.11951 149.6
[M+HCOO]- 309.12045 175.9
[M+CH3COO]- 323.13610 168.8
[M+Na-2H]- 285.09692 160.3
[M]+ 264.12170 158.4
[M]- 264.12280 158.4
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.