CID 460322

108441-62-9

Structural Information

Molecular Formula
C12H18N6O3
SMILES
CC1=CN(C(=O)N=C1N(C)C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H18N6O3/c1-7-5-18(12(20)14-11(7)17(2)3)10-4-8(15-16-13)9(6-19)21-10/h5,8-10,19H,4,6H2,1-3H3/t8-,9+,10+/m0/s1
InChIKey
DHRJSPJAMDHYTN-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-(dimethylamino)-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14404 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15132 167.2
[M+Na]+ 317.13326 174.0
[M-H]- 293.13676 175.3
[M+NH4]+ 312.17786 180.3
[M+K]+ 333.10720 168.5
[M+H-H2O]+ 277.14130 162.2
[M+HCOO]- 339.14224 193.8
[M+CH3COO]- 353.15789 209.1
[M+Na-2H]- 315.11871 173.3
[M]+ 294.14349 166.6
[M]- 294.14459 166.6
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.