CID 477013

Nsc670035

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)CN=[N+]=[N-])O
InChI
InChI=1S/C11H15N5O5/c1-5-3-16(11(20)14-9(5)19)10-8(18)6(2-13-15-12)7(4-17)21-10/h3,6-8,10,17-18H,2,4H2,1H3,(H,14,19,20)/t6-,7-,8+,10-/m1/s1
InChIKey
JSXXEEOHRDWOFK-BDNRQGISSA-N
Compound name
1-[(2R,3S,4S,5S)-4-(azidomethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.10733 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 164.1
[M+Na]+ 320.09655 171.9
[M-H]- 296.10005 168.7
[M+NH4]+ 315.14115 175.5
[M+K]+ 336.07049 164.1
[M+H-H2O]+ 280.10459 160.3
[M+HCOO]- 342.10553 187.1
[M+CH3COO]- 356.12118 197.8
[M+Na-2H]- 318.08200 169.9
[M]+ 297.10678 161.5
[M]- 297.10788 161.5
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

No patent data available for this compound.