CID 451371

3'-azido-2',3'-dideoxy-5-thiocyanatouridine

Structural Information

Molecular Formula
C10H10N6O4S
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)SC#N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H10N6O4S/c11-4-21-7-2-16(10(19)13-9(7)18)8-1-5(14-15-12)6(3-17)20-8/h2,5-6,8,17H,1,3H2,(H,13,18,19)/t5-,6+,8+/m0/s1
InChIKey
MRIVVOQRLBCTOK-SHYZEUOFSA-N
Compound name
[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

310.04843 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05571 171.9
[M+Na]+ 333.03765 180.8
[M-H]- 309.04115 175.8
[M+NH4]+ 328.08225 181.9
[M+K]+ 349.01159 173.3
[M+H-H2O]+ 293.04569 160.5
[M+HCOO]- 355.04663 187.1
[M+CH3COO]- 369.06228 209.0
[M+Na-2H]- 331.02310 175.2
[M]+ 310.04788 165.0
[M]- 310.04898 165.0
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

patents stripe