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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.151316	167.2
[M+Na]+	317.133258	174.0
[M-H]-	293.136764	175.3
[M+NH4]+	312.177863	180.3
[M+K]+	333.107198	168.5
[M+H-H2O]+	277.141300	162.2
[M+HCOO]-	339.142241	193.8
[M+CH3COO]-	353.157891	209.1
[M+Na-2H]-	315.118706	173.3
[M]+	294.14349142	166.6
[M]-	294.14458858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.