CID 49767796

Bp-ddtp

Structural Information

Molecular Formula
C20H31N2O13P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
InChI
InChI=1S/C20H31N2O13P/c1-12(2)33-19(25)28-9-31-36(27,32-10-29-20(26)34-13(3)4)11-30-16-7-6-15(35-16)22-8-14(5)17(23)21-18(22)24/h8,12-13,15-16H,6-7,9-11H2,1-5H3,(H,21,23,24)/t15-,16+/m1/s1
InChIKey
FHGXSJNVMKEQHB-CVEARBPZSA-N
Compound name
[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

538.1564 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.16368 207.7
[M+Na]+ 561.14562 209.1
[M-H]- 537.14912 209.7
[M+NH4]+ 556.19022 229.1
[M+K]+ 577.11956 214.4
[M+H-H2O]+ 521.15366 197.1
[M+HCOO]- 583.15460 236.6
[M+CH3COO]- 597.17025 241.4
[M+Na-2H]- 559.13107 203.9
[M]+ 538.15585 220.4
[M]- 538.15695 220.4
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.