CID 15374208

105931-57-5

Structural Information

Molecular Formula
C47H54N5O8P
SMILES
CC1=CN(C(=O)N=C1NC(=O)C2=CC=CC=C2)[C@H]3C[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
InChI
InChI=1S/C47H54N5O8P/c1-32(2)52(33(3)4)61(58-28-14-27-48)60-41-29-43(51-30-34(5)44(50-46(51)54)49-45(53)35-15-10-8-11-16-35)59-42(41)31-57-47(36-17-12-9-13-18-36,37-19-23-39(55-6)24-20-37)38-21-25-40(56-7)26-22-38/h8-13,15-26,30,32-33,41-43H,14,28-29,31H2,1-7H3,(H,49,50,53,54)/t41-,42+,43+,61?/m0/s1
InChIKey
AGMUHEZFYUECLW-QUZMAVINSA-N
Compound name
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

847.371 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 848.37828 292.5
[M+Na]+ 870.36022 300.4
[M+NH4]+ 865.40482 289.4
[M+K]+ 886.33416 298.5
[M-H]- 846.36372 293.9
[M+Na-2H]- 868.34567 308.3
[M]+ 847.37045 293.0
[M]- 847.37155 293.0
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.