CID 377346

Nsc658787

Structural Information

Molecular Formula
C10H11N5O5
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H11N5O5/c1-4-3-15(10(19)12-8(4)16)6-2-5(13-14-11)7(20-6)9(17)18/h3,5-7H,2H2,1H3,(H,17,18)(H,12,16,19)
InChIKey
YPULTFJGCRVCPG-UHFFFAOYSA-N
Compound name
3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07602 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08330 158.1
[M+Na]+ 304.06524 165.9
[M-H]- 280.06874 164.0
[M+NH4]+ 299.10984 170.4
[M+K]+ 320.03918 159.1
[M+H-H2O]+ 264.07328 154.2
[M+HCOO]- 326.07422 182.2
[M+CH3COO]- 340.08987 195.7
[M+Na-2H]- 302.05069 164.3
[M]+ 281.07547 155.3
[M]- 281.07657 155.3
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.