CID 9574203

Sp-.alpha.-borano-azt-tp

Structural Information

Molecular Formula
C10H15BN5O12P3
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)(O)OP(=O)(O)O
InChI
InChI=1S/C10H15BN5O12P3/c1-5-3-16(10(18)13-9(5)17)8-2-6(14-15-12)7(26-8)4-25-29(11,19)27-31(23,24)28-30(20,21)22/h3,6-8H,2,4H2,1H3,(H,23,24)(H,13,17,18)(H2,20,21,22)/q-1/t6-,7+,8+,29+/m0/s1
InChIKey
JXYQYBDHIWCXCR-NYNRLPRQSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

501.00232 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.00960 218.9
[M+Na]+ 523.99154 229.3
[M-H]- 499.99504 230.0
[M+NH4]+ 519.03614 226.9
[M+K]+ 539.96548 216.1
[M+H-H2O]+ 483.99958 186.0
[M+HCOO]- 546.00052 248.3
[M+CH3COO]- 560.01617 225.6
[M+Na-2H]- 521.97699 216.3
[M]+ 501.00177 208.9
[M]- 501.00287 208.9
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.