CID 135524754

Carbovir-.alpha.bcf2tp

Structural Information

Molecular Formula
C12H15BF2N5O9P3
SMILES
[B-][P@](=O)(OC[C@H]1C[C@H](C=C1)N2C=NC3=C2N=C(NC3=O)N)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C12H15BF2N5O9P3/c13-32(27,29-31(25,26)12(14,15)30(22,23)24)28-4-6-1-2-7(3-6)20-5-17-8-9(20)18-11(16)19-10(8)21/h1-2,5-7H,3-4H2,(H,25,26)(H2,22,23,24)(H3,16,18,19,21)/q-1/t6-,7+,32+/m1/s1
InChIKey
VYTGDQKYOIZMRG-DKNLRGKDSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

515.0144 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.02168 204.3
[M+Na]+ 538.00362 205.7
[M-H]- 514.00712 196.7
[M+NH4]+ 533.04822 205.8
[M+K]+ 553.97756 207.0
[M+H-H2O]+ 498.01166 191.8
[M+HCOO]- 560.01260 225.2
[M+CH3COO]- 574.02825 228.9
[M+Na-2H]- 535.98907 208.8
[M]+ 515.01385 199.4
[M]- 515.01495 199.4
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.