CID 515101

5'-nh2-fmau

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CN)O)F
InChI
InChI=1S/C10H14FN3O4/c1-4-3-14(10(17)13-8(4)16)9-6(11)7(15)5(2-12)18-9/h3,5-7,9,15H,2,12H2,1H3,(H,13,16,17)/t5-,6+,7-,9-/m1/s1
InChIKey
UOOJQTXIZGNFSC-JVZYCSMKSA-N
Compound name
1-[(2R,3S,4R,5R)-5-(aminomethyl)-3-fluoro-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

259.09683 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 155.2
[M+Na]+ 282.08605 165.4
[M-H]- 258.08955 156.9
[M+NH4]+ 277.13065 168.6
[M+K]+ 298.05999 162.0
[M+H-H2O]+ 242.09409 147.3
[M+HCOO]- 304.09503 172.5
[M+CH3COO]- 318.11068 193.0
[M+Na-2H]- 280.07150 155.1
[M]+ 259.09628 152.7
[M]- 259.09738 152.7
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