CID 482779

3'-azido-3'-deoxy-4'-thiothymidine

Structural Information

Molecular Formula
C10H13N5O3S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O3S/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
InChIKey
KGKYEDCGIJYAPF-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08118 159.0
[M+Na]+ 306.06312 167.1
[M-H]- 282.06662 164.0
[M+NH4]+ 301.10772 173.4
[M+K]+ 322.03706 157.4
[M+H-H2O]+ 266.07116 155.5
[M+HCOO]- 328.07210 179.3
[M+CH3COO]- 342.08775 194.7
[M+Na-2H]- 304.04857 162.8
[M]+ 283.07335 155.9
[M]- 283.07445 155.9
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.