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

literature stripe

Patent stripe

patents stripe