CID 9567634

Rp-dctp-.alpha.-b

Structural Information

Molecular Formula
C9H15BN3O12P3
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N)O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C9H15BN3O12P3/c10-26(16,24-28(20,21)25-27(17,18)19)22-4-6-5(14)3-8(23-6)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H,20,21)(H2,11,12,15)(H2,17,18,19)/q-1/t5-,6+,8+,26-/m0/s1
InChIKey
KXZQLPDYJUXISD-YLCASDOVSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.99615 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.00343 187.7
[M+Na]+ 483.98537 188.5
[M-H]- 459.98887 195.3
[M+NH4]+ 479.02997 193.0
[M+K]+ 499.95931 192.6
[M+H-H2O]+ 443.99341 176.3
[M+HCOO]- 505.99435 216.9
[M+CH3COO]- 520.01000 219.9
[M+Na-2H]- 481.97082 197.4
[M]+ 460.99560 184.4
[M]- 460.99670 184.4
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.