CID 451383

3',5'-diazido-3'-deoxythymidine

Structural Information

Molecular Formula
C10H12N8O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C10H12N8O3/c1-5-4-18(10(20)14-9(5)19)8-2-6(15-17-12)7(21-8)3-13-16-11/h4,6-8H,2-3H2,1H3,(H,14,19,20)/t6-,7+,8+/m0/s1
InChIKey
UHGMCTPHQAJLQA-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-azido-5-(azidomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.10324 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11052 164.4
[M+Na]+ 315.09246 170.5
[M-H]- 291.09596 173.4
[M+NH4]+ 310.13706 176.3
[M+K]+ 331.06640 159.2
[M+H-H2O]+ 275.10050 162.8
[M+HCOO]- 337.10144 195.3
[M+CH3COO]- 351.11709 204.3
[M+Na-2H]- 313.07791 176.1
[M]+ 292.10269 159.1
[M]- 292.10379 159.1
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.