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

89
Patents

267.09674 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 156.6
[M+Na]+ 290.08596 164.6
[M-H]- 266.08946 162.3
[M+NH4]+ 285.13056 169.7
[M+K]+ 306.05990 157.4
[M+H-H2O]+ 250.09400 152.6
[M+HCOO]- 312.09494 181.3
[M+CH3COO]- 326.11059 193.5
[M+Na-2H]- 288.07141 163.6
[M]+ 267.09619 153.8
[M]- 267.09729 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.