CID 509187

519027-10-2

Structural Information

Molecular Formula
C10H12ClN5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])Cl
InChI
InChI=1S/C10H12ClN5O4/c1-4-2-16(10(19)13-8(4)18)9-6(11)7(14-15-12)5(3-17)20-9/h2,5-7,9,17H,3H2,1H3,(H,13,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
FOTBMRMTTKGFMN-JXOAFFINSA-N
Compound name
1-[(2R,3R,4R,5S)-4-azido-3-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05777 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06505 167.1
[M+Na]+ 324.04699 176.3
[M-H]- 300.05049 172.6
[M+NH4]+ 319.09159 179.8
[M+K]+ 340.02093 167.6
[M+H-H2O]+ 284.05503 164.0
[M+HCOO]- 346.05597 186.9
[M+CH3COO]- 360.07162 198.6
[M+Na-2H]- 322.03244 172.4
[M]+ 301.05722 166.5
[M]- 301.05832 166.5
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.