CID 464364

3'-n3-4-mes-ddu

Structural Information

Molecular Formula
C10H13N5O3S
SMILES
CSC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O3S/c1-19-8-2-3-15(10(17)12-8)9-4-6(13-14-11)7(5-16)18-9/h2-3,6-7,9,16H,4-5H2,1H3/t6-,7+,9+/m0/s1
InChIKey
AUHBPPJALZLJQZ-LKEWCRSYSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.081176 160.6
[M+Na]+ 306.063118 168.3
[M-H]- 282.066624 167.3
[M+NH4]+ 301.107723 174.3
[M+K]+ 322.037058 160.8
[M+H-H2O]+ 266.071160 156.5
[M+HCOO]- 328.072101 181.4
[M+CH3COO]- 342.087751 197.2
[M+Na-2H]- 304.048566 165.8
[M]+ 283.07335142 160.1
[M]- 283.07444858 160.1
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.