CID 92043625

163878-63-5

Structural Information

Molecular Formula
C43H55N4O10P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N)OCCOC
InChI
InChI=1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-31(5)40(48)45-42(46)49)28-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2,1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
InChIKey
YFRRKZDUDXHJNC-KZQAAKLLSA-N
Compound name
3-[[(2R,3R,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)-5-(5-methyl-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

818.3656 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.37288 279.1
[M+Na]+ 841.35482 277.0
[M-H]- 817.35832 285.4
[M+NH4]+ 836.39942 268.2
[M+K]+ 857.32876 277.3
[M+H-H2O]+ 801.36286 256.2
[M+HCOO]- 863.36380 289.0
[M+CH3COO]- 877.37945 303.5
[M+Na-2H]- 839.34027 303.0
[M]+ 818.36505 282.5
[M]- 818.36615 282.5
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.