CID 474364

1-(3-azido-2,3-dideoxy-.beta.-d-erythro-pentofuranosyl)-5-methyl-4-pentafluorophenyloxy-2(1h)-pyrimidinone

Structural Information

Molecular Formula
C16H12F5N5O4
SMILES
CC1=CN(C(=O)N=C1OC2=C(C(=C(C(=C2F)F)F)F)F)[C@H]3C[C@@H]([C@H](O3)CO)N=[N+]=[N-]
InChI
InChI=1S/C16H12F5N5O4/c1-5-3-26(8-2-6(24-25-22)7(4-27)29-8)16(28)23-15(5)30-14-12(20)10(18)9(17)11(19)13(14)21/h3,6-8,27H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChIKey
SWVYMDKRSOKWQO-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.08093 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.08821 195.7
[M+Na]+ 456.07015 206.8
[M-H]- 432.07365 200.3
[M+NH4]+ 451.11475 203.2
[M+K]+ 472.04409 196.8
[M+H-H2O]+ 416.07819 185.9
[M+HCOO]- 478.07913 215.2
[M+CH3COO]- 492.09478 230.8
[M+Na-2H]- 454.05560 195.9
[M]+ 433.08038 191.7
[M]- 433.08148 191.7
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.