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

14
Patents

748.3037 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.310976 266.3
[M+Na]+ 771.292918 266.3
[M-H]- 747.296424 271.8
[M+NH4]+ 766.337523 258.1
[M+K]+ 787.266858 264.1
[M+H-H2O]+ 731.300960 243.1
[M+HCOO]- 793.301901 276.4
[M+CH3COO]- 807.317551 291.5
[M+Na-2H]- 769.278366 255.6
[M]+ 748.30315142 265.3
[M]- 748.30424858 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

patents stripe