CID 451876

3'-n3-4n-me-ddc

Structural Information

Molecular Formula
C10H14N6O3
SMILES
CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H14N6O3/c1-12-8-2-3-16(10(18)13-8)9-4-6(14-15-11)7(5-17)19-9/h2-3,6-7,9,17H,4-5H2,1H3,(H,12,13,18)/t6-,7+,9+/m0/s1
InChIKey
UWWRTDIZTFXDNX-LKEWCRSYSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 156.3
[M+Na]+ 289.10195 162.9
[M-H]- 265.10545 162.9
[M+NH4]+ 284.14655 169.6
[M+K]+ 305.07589 156.5
[M+H-H2O]+ 249.10999 151.4
[M+HCOO]- 311.11093 183.2
[M+CH3COO]- 325.12658 198.5
[M+Na-2H]- 287.08740 164.9
[M]+ 266.11218 153.5
[M]- 266.11328 153.5
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.