CID 49767797

Bp-d4tp

Structural Information

Molecular Formula
C20H29N2O13P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C
InChI
InChI=1S/C20H29N2O13P/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/h6-8,12-13,15-16H,9-11H2,1-5H3,(H,21,23,24)/t15-,16+/m1/s1
InChIKey
QJJNLIXPTNEYNL-CVEARBPZSA-N
Compound name
[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

536.14075 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.14803 207.4
[M+Na]+ 559.12997 209.7
[M-H]- 535.13347 209.8
[M+NH4]+ 554.17457 226.2
[M+K]+ 575.10391 214.9
[M+H-H2O]+ 519.13801 196.6
[M+HCOO]- 581.13895 233.4
[M+CH3COO]- 595.15460 240.9
[M+Na-2H]- 557.11542 204.3
[M]+ 536.14020 221.4
[M]- 536.14130 221.4
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.