CID 454164

3etazt

Structural Information

Molecular Formula
C12H17N5O4
SMILES
CCN1C(=O)C(=CN(C1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-])C
InChI
InChI=1S/C12H17N5O4/c1-3-16-11(19)7(2)5-17(12(16)20)10-4-8(14-15-13)9(6-18)21-10/h5,8-10,18H,3-4,6H2,1-2H3/t8-,9+,10+/m0/s1
InChIKey
WHFVSLHIKJRXRX-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-ethyl-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.12805 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13533 166.4
[M+Na]+ 318.11727 175.0
[M-H]- 294.12077 173.5
[M+NH4]+ 313.16187 179.5
[M+K]+ 334.09121 168.1
[M+H-H2O]+ 278.12531 162.2
[M+HCOO]- 340.12625 191.9
[M+CH3COO]- 354.14190 203.4
[M+Na-2H]- 316.10272 172.1
[M]+ 295.12750 166.5
[M]- 295.12860 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.