CID 452178

129779-72-2

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H](C[C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O4/c1-6-4-16(11(19)13-10(6)18)9-3-7(14-15-12)2-8(5-17)20-9/h4,7-9,17H,2-3,5H2,1H3,(H,13,18,19)/t7-,8-,9-/m0/s1
InChIKey
JTYZBBGRNSKPFG-CIUDSAMLSA-N
Compound name
1-[(2S,4S,6S)-4-azido-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1124 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.9
[M+Na]+ 304.10162 168.8
[M-H]- 280.10512 167.0
[M+NH4]+ 299.14622 172.6
[M+K]+ 320.07556 161.4
[M+H-H2O]+ 264.10966 157.0
[M+HCOO]- 326.11060 184.1
[M+CH3COO]- 340.12625 197.2
[M+Na-2H]- 302.08707 169.5
[M]+ 281.11185 157.4
[M]- 281.11295 157.4
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.