CID 3000254

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

Structural Information

Molecular Formula
C10H13N5O3S
SMILES
CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O3S/c1-5-3-15(10(17)12-9(5)19)8-2-6(13-14-11)7(4-16)18-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,19)/t6-,7+,8+/m0/s1
InChIKey
LQGXMSIIZGFDND-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

283.0739 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08118 160.9
[M+Na]+ 306.06312 169.2
[M-H]- 282.06662 166.6
[M+NH4]+ 301.10772 174.1
[M+K]+ 322.03706 160.2
[M+H-H2O]+ 266.07116 157.4
[M+HCOO]- 328.07210 180.3
[M+CH3COO]- 342.08775 195.0
[M+Na-2H]- 304.04857 165.1
[M]+ 283.07335 158.3
[M]- 283.07445 158.3
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.