CID 10897950

142246-63-7

Structural Information

Molecular Formula
C39H46FN4O8P
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)F
InChI
InChI=1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-22-10-21-41)52-34-23-36(43-24-33(40)37(45)42-38(43)46)51-35(34)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-30/h7-9,11-20,24,26-27,34-36H,10,22-23,25H2,1-6H3,(H,42,45,46)/t34-,35+,36+,53?/m0/s1
InChIKey
QXDBDJDCIBKCKF-QMTPQUJBSA-N
Compound name
3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

748.3037 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.31098 270.6
[M+Na]+ 771.29292 278.6
[M+NH4]+ 766.33752 267.4
[M+K]+ 787.26686 273.0
[M-H]- 747.29642 267.7
[M+Na-2H]- 769.27837 271.3
[M]+ 748.30315 269.7
[M]- 748.30425 269.7
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.