CID 11821067

Ddc.alpha.bcf2tp

Structural Information

Molecular Formula
C10H15BF2N3O10P3
SMILES
[B-][P@](=O)(OC[C@@H]1CC[C@@H](O1)N2C=CC(=NC2=O)N)OP(=O)(C(F)(F)P(=O)(O)O)O
InChI
InChI=1S/C10H15BF2N3O10P3/c11-29(23,26-28(21,22)10(12,13)27(18,19)20)24-5-6-1-2-8(25-6)16-4-3-7(14)15-9(16)17/h3-4,6,8H,1-2,5H2,(H,21,22)(H2,14,15,17)(H2,18,19,20)/q-1/t6-,8+,29-/m0/s1
InChIKey
KXQOGYVSWVVWJC-LZBIVTRRSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.00314 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.01042 195.9
[M+Na]+ 501.99236 197.2
[M-H]- 477.99586 189.9
[M+NH4]+ 497.03696 189.0
[M+K]+ 517.96630 199.9
[M+H-H2O]+ 462.00040 183.2
[M+HCOO]- 524.00134 212.5
[M+CH3COO]- 538.01699 223.9
[M+Na-2H]- 499.97781 200.9
[M]+ 479.00259 178.3
[M]- 479.00369 178.3
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.