CID 452262

5'-isocyano-azt

Structural Information

Molecular Formula
C11H14N6O3
SMILES
CC1=CN(C(=O)NC1O)[C@H]2C[C@@H]([C@H](O2)C[N+]#[C-])N=[N+]=[N-]
InChI
InChI=1S/C11H14N6O3/c1-6-5-17(11(19)14-10(6)18)9-3-7(15-16-12)8(20-9)4-13-2/h5,7-10,18H,3-4H2,1H3,(H,14,19)/t7-,8+,9+,10?/m0/s1
InChIKey
WANCATHSYIFYLV-UWOKOIHUSA-N
Compound name
3-[(2R,4S,5R)-4-azido-5-(isocyanomethyl)oxolan-2-yl]-6-hydroxy-5-methyl-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.11273 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12001 169.8
[M+Na]+ 301.10195 175.6
[M-H]- 277.10545 171.2
[M+NH4]+ 296.14655 179.1
[M+K]+ 317.07589 163.4
[M+H-H2O]+ 261.10999 162.6
[M+HCOO]- 323.11093 185.2
[M+CH3COO]- 337.12658 199.4
[M+Na-2H]- 299.08740 174.6
[M]+ 278.11218 155.3
[M]- 278.11328 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.