CID 465649

3-(hoet)azt

Structural Information

Molecular Formula
C12H17N5O5
SMILES
CC1=CN(C(=O)N(C1=O)CCO)[C@H]2CC([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H17N5O5/c1-7-5-17(12(21)16(2-3-18)11(7)20)10-4-8(14-15-13)9(6-19)22-10/h5,8-10,18-19H,2-4,6H2,1H3/t8?,9-,10-/m1/s1
InChIKey
CSDPGDMVFZGRDF-VXRWAFEHSA-N
Compound name
1-[(2R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.12296 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13024 168.7
[M+Na]+ 334.11218 176.4
[M-H]- 310.11568 174.5
[M+NH4]+ 329.15678 180.2
[M+K]+ 350.08612 169.3
[M+H-H2O]+ 294.12022 164.5
[M+HCOO]- 356.12116 192.8
[M+CH3COO]- 370.13681 203.2
[M+Na-2H]- 332.09763 174.3
[M]+ 311.12241 168.2
[M]- 311.12351 168.3
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.