CID 464605

Di[3'-(o)me-t]-5',5''-(ph)mp

Structural Information

Molecular Formula
C28H35N4O12P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)OC)OC5=CC=CC=C5)OC
InChI
InChI=1S/C28H35N4O12P/c1-16-12-31(27(35)29-25(16)33)23-10-19(38-3)21(42-23)14-40-45(37,44-18-8-6-5-7-9-18)41-15-22-20(39-4)11-24(43-22)32-13-17(2)26(34)30-28(32)36/h5-9,12-13,19-24H,10-11,14-15H2,1-4H3,(H,29,33,35)(H,30,34,36)/t19-,20-,21+,22+,23+,24+/m0/s1
InChIKey
QLRVSWFWCISZFU-ZJCHSKCTSA-N
Compound name
bis[[(2R,3S,5R)-3-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl] phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

650.1989 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.20618 238.8
[M+Na]+ 673.18812 241.4
[M-H]- 649.19162 248.5
[M+NH4]+ 668.23272 232.3
[M+K]+ 689.16206 243.3
[M+H-H2O]+ 633.19616 225.5
[M+HCOO]- 695.19710 252.3
[M+CH3COO]- 709.21275 264.2
[M+Na-2H]- 671.17357 231.6
[M]+ 650.19835 245.7
[M]- 650.19945 245.7
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.