CID 451709

F-carbocyclic-azt

Structural Information

Molecular Formula
C11H14FN5O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]([C@@H]2F)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H14FN5O3/c1-5-3-17(11(20)14-10(5)19)8-2-7(15-16-13)6(4-18)9(8)12/h3,6-9,18H,2,4H2,1H3,(H,14,19,20)/t6-,7+,8+,9+/m1/s1
InChIKey
HTMVXNVHLREVGF-XGEHTFHBSA-N
Compound name
1-[(1S,2S,3S,4S)-4-azido-2-fluoro-3-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10806 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11534 158.9
[M+Na]+ 306.09728 167.6
[M-H]- 282.10078 162.8
[M+NH4]+ 301.14188 173.0
[M+K]+ 322.07122 158.4
[M+H-H2O]+ 266.10532 154.3
[M+HCOO]- 328.10626 183.0
[M+CH3COO]- 342.12191 198.0
[M+Na-2H]- 304.08273 163.5
[M]+ 283.10751 153.8
[M]- 283.10861 153.8
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.