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 266.3
[M+Na]+ 771.29292 266.3
[M-H]- 747.29642 271.8
[M+NH4]+ 766.33752 258.1
[M+K]+ 787.26686 264.1
[M+H-H2O]+ 731.30096 243.1
[M+HCOO]- 793.30190 276.4
[M+CH3COO]- 807.31755 291.5
[M+Na-2H]- 769.27837 255.6
[M]+ 748.30315 265.3
[M]- 748.30425 265.3
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.