CID 90230

Einecs 245-814-9

Structural Information

Molecular Formula
C30H30N2O7
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O
InChI
InChI=1S/C30H30N2O7/c1-36-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(37-2)15-11-22)38-19-26-25(33)18-28(39-26)32-17-16-27(34)31-29(32)35/h3-17,25-26,28,33H,18-19H2,1-2H3,(H,31,34,35)/t25-,26+,28+/m0/s1
InChIKey
BYGKUWPLEGHFKX-ZRRKCSAHSA-N
Compound name
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

530.2053 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.21258 225.5
[M+Na]+ 553.19452 230.0
[M-H]- 529.19802 236.9
[M+NH4]+ 548.23912 225.8
[M+K]+ 569.16846 226.2
[M+H-H2O]+ 513.20256 212.8
[M+HCOO]- 575.20350 238.6
[M+CH3COO]- 589.21915 240.8
[M+Na-2H]- 551.17997 224.5
[M]+ 530.20475 227.6
[M]- 530.20585 227.6
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.