CID 451456

19316-85-9

Structural Information

Molecular Formula
C10H13N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N+]=[N-])O
InChI
InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1
InChIKey
GKEHVJFBPNPCKI-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

91
Patents

267.09674 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 156.6
[M+Na]+ 290.085958 164.6
[M-H]- 266.089464 162.3
[M+NH4]+ 285.130563 169.7
[M+K]+ 306.059898 157.4
[M+H-H2O]+ 250.094000 152.6
[M+HCOO]- 312.094941 181.3
[M+CH3COO]- 326.110591 193.5
[M+Na-2H]- 288.071406 163.6
[M]+ 267.09619142 153.8
[M]- 267.09728858 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

literature stripe

Patent stripe

patents stripe