CID 9816613

4'-fluoromethyl-2'-deoxycytidine

Structural Information

Molecular Formula
C10H14FN3O4
SMILES
C1[C@@H]([C@](O[C@H]1N2C=CC(=NC2=O)N)(CO)CF)O
InChI
InChI=1S/C10H14FN3O4/c11-4-10(5-15)6(16)3-8(18-10)14-2-1-7(12)13-9(14)17/h1-2,6,8,15-16H,3-5H2,(H2,12,13,17)/t6-,8+,10+/m0/s1
InChIKey
HKMPUTUIJPBZTJ-SKWCMTHISA-N
Compound name
4-amino-1-[(2R,4S,5R)-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

259.09683 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10411 153.0
[M+Na]+ 282.08605 162.1
[M-H]- 258.08955 154.2
[M+NH4]+ 277.13065 168.0
[M+K]+ 298.05999 159.7
[M+H-H2O]+ 242.09409 145.4
[M+HCOO]- 304.09503 170.4
[M+CH3COO]- 318.11068 190.4
[M+Na-2H]- 280.07150 156.0
[M]+ 259.09628 150.8
[M]- 259.09738 150.8
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

patents stripe