CID 446659

N7-methyl-formycin a

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CNC1=NC=NC2=C(NN=C21)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1
InChIKey
JRRNRCMIBCSOIH-LFAOKBQASA-N
Compound name
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[7-(methylamino)-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

281.1124 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.5
[M+Na]+ 304.10162 170.8
[M-H]- 280.10512 161.3
[M+NH4]+ 299.14622 172.8
[M+K]+ 320.07556 167.1
[M+H-H2O]+ 264.10966 153.9
[M+HCOO]- 326.11060 176.3
[M+CH3COO]- 340.12625 171.5
[M+Na-2H]- 302.08707 163.4
[M]+ 281.11185 161.1
[M]- 281.11295 161.1
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