CID 485383

(2r,3s,4s)-3-azido-4-hydroxy-4-hydroxymethyl-2-[(s)-(thymin-1-yl)(methoxy)methyl]tetrahydrofuran

Structural Information

Molecular Formula
C12H17N5O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]([C@H]2[C@@H]([C@@](CO2)(CO)O)N=[N+]=[N-])OC
InChI
InChI=1S/C12H17N5O6/c1-6-3-17(11(20)14-9(6)19)10(22-2)7-8(15-16-13)12(21,4-18)5-23-7/h3,7-8,10,18,21H,4-5H2,1-2H3,(H,14,19,20)/t7-,8+,10+,12+/m1/s1
InChIKey
MYOWIGFKIKFVGM-SZDPWXCGSA-N
Compound name
1-[(S)-[(2R,3S,4S)-3-azido-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-methoxymethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1179 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12518 167.2
[M+Na]+ 350.10712 174.0
[M-H]- 326.11062 171.7
[M+NH4]+ 345.15172 179.0
[M+K]+ 366.08106 167.8
[M+H-H2O]+ 310.11516 164.2
[M+HCOO]- 372.11610 189.2
[M+CH3COO]- 386.13175 202.1
[M+Na-2H]- 348.09257 174.2
[M]+ 327.11735 165.9
[M]- 327.11845 165.9
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.