CID 452023

132722-92-0

Structural Information

Molecular Formula
C12H16FN5O2
SMILES
CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H](C[C@H](O3)CO)F)NC
InChI
InChI=1S/C12H16FN5O2/c1-6-16-10(14-2)9-11(17-6)18(5-15-9)12-8(13)3-7(4-19)20-12/h5,7-8,12,19H,3-4H2,1-2H3,(H,14,16,17)/t7-,8-,12+/m0/s1
InChIKey
JGGATLHBDCQYHB-YVZVNANGSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-[2-methyl-6-(methylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

281.1288 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13608 162.7
[M+Na]+ 304.11802 173.5
[M-H]- 280.12152 164.7
[M+NH4]+ 299.16262 176.3
[M+K]+ 320.09196 170.0
[M+H-H2O]+ 264.12606 153.4
[M+HCOO]- 326.12700 180.2
[M+CH3COO]- 340.14265 174.0
[M+Na-2H]- 302.10347 164.3
[M]+ 281.12825 164.1
[M]- 281.12935 164.1
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.