CID 90230

23669-79-6

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

34
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 228.1
[M+Na]+ 553.19452 242.6
[M+NH4]+ 548.23912 231.7
[M+K]+ 569.16846 238.3
[M-H]- 529.19802 235.6
[M+Na-2H]- 551.17997 236.7
[M]+ 530.20475 232.2
[M]- 530.20585 232.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe