CID 451846

111495-94-4

Structural Information

Molecular Formula
C12H15N5O5
SMILES
C=CCOC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H15N5O5/c1-2-3-21-8-5-17(12(20)14-11(8)19)10-4-7(15-16-13)9(6-18)22-10/h2,5,7,9-10,18H,1,3-4,6H2,(H,14,19,20)/t7-,9+,10+/m0/s1
InChIKey
ACKOHGOWRADBCU-FXBDTBDDSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.10733 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 167.2
[M+Na]+ 332.09655 174.3
[M-H]- 308.10005 172.6
[M+NH4]+ 327.14115 178.4
[M+K]+ 348.07049 166.6
[M+H-H2O]+ 292.10459 162.7
[M+HCOO]- 354.10553 191.5
[M+CH3COO]- 368.12118 201.1
[M+Na-2H]- 330.08200 173.5
[M]+ 309.10678 165.6
[M]- 309.10788 165.6
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.