CID 101234327

163759-94-2

Structural Information

Molecular Formula
C50H60N5O10P
SMILES
CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(N(C(C)C)C(C)C)OCCC#N)OCCOC
InChI
InChI=1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-10-14-19-38,39-20-24-41(59-7)25-21-39)40-22-26-42(60-8)27-23-40)64-48(45(44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/h9-14,16-27,32,34-35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-,45-,48-,66?/m1/s1
InChIKey
FLIGVMLIIDVDSN-GICDFOIUSA-N
Compound name
N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-(2-methoxyethoxy)oxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

921.4078 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 922.41508 306.5
[M+Na]+ 944.39702 313.9
[M-H]- 920.40052 304.6
[M+NH4]+ 939.44162 308.8
[M+K]+ 960.37096 300.5
[M+H-H2O]+ 904.40506 286.3
[M+HCOO]- 966.40600 309.0
[M+CH3COO]- 980.42165 321.0
[M+Na-2H]- 942.38247 321.8
[M]+ 921.40725 334.3
[M]- 921.40835 334.3
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.