CID 9567715

3'-azido-3'-deoxythymidine 5'-.alpha.-p-borano-.beta.,.gamma.-methylenetriphosphate

Structural Information

Molecular Formula
C11H17BN5O11P3
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(CP(=O)(O)O)O
InChI
InChI=1S/C11H17BN5O11P3/c1-6-3-17(11(19)14-10(6)18)9-2-7(15-16-13)8(27-9)4-26-31(12,25)28-30(23,24)5-29(20,21)22/h3,7-9H,2,4-5H2,1H3,(H,23,24)(H,14,18,19)(H2,20,21,22)/q-1/t7-,8+,9+,31-/m0/s1
InChIKey
SMOSMFPOEHEFHM-MTRPZJMGSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

499.02304 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.03032 218.7
[M+Na]+ 522.01226 229.4
[M-H]- 498.01576 228.9
[M+NH4]+ 517.05686 226.0
[M+K]+ 537.98620 216.7
[M+H-H2O]+ 482.02030 185.5
[M+HCOO]- 544.02124 248.1
[M+CH3COO]- 558.03689 226.1
[M+Na-2H]- 519.99771 202.6
[M]+ 499.02249 208.0
[M]- 499.02359 208.0
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

No patent data available for this compound.