CID 511886

N1-methyl formycin a

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CN1C2=C(C(=N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN=C2N
InChI
InChI=1S/C11H15N5O4/c1-16-7-5(13-3-14-11(7)12)6(15-16)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,13,14)/t4-,8-,9-,10+/m1/s1
InChIKey
MTJRJNHWOVXLLF-LFAOKBQASA-N
Compound name
(2S,3R,4S,5R)-2-(7-amino-1-methylpyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.1124 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 163.0
[M+Na]+ 304.10162 173.6
[M-H]- 280.10512 164.0
[M+NH4]+ 299.14622 175.0
[M+K]+ 320.07556 170.3
[M+H-H2O]+ 264.10966 155.6
[M+HCOO]- 326.11060 178.6
[M+CH3COO]- 340.12625 173.7
[M+Na-2H]- 302.08707 163.4
[M]+ 281.11185 163.8
[M]- 281.11295 163.8
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

No patent data available for this compound.