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

literature stripe

Patent stripe

patents stripe