CID 451576

Azmedt

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.1124 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.2
[M+Na]+ 304.10162 169.3
[M-H]- 280.10512 168.1
[M+NH4]+ 299.14622 174.5
[M+K]+ 320.07556 162.7
[M+H-H2O]+ 264.10966 156.9
[M+HCOO]- 326.11060 187.1
[M+CH3COO]- 340.12625 199.1
[M+Na-2H]- 302.08707 168.1
[M]+ 281.11185 160.5
[M]- 281.11295 160.5
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.