CID 389071

Nsc684710

Structural Information

Molecular Formula
C30H40N2O9
SMILES
C1CCOC(C1)OCC2C(C(C(O2)N3C=CC(=O)N(C3=O)C4=CC=CC=C4)OC5CCCCO5)OC6CCCCO6
InChI
InChI=1S/C30H40N2O9/c33-23-15-16-31(30(34)32(23)21-10-2-1-3-11-21)29-28(41-26-14-6-9-19-37-26)27(40-25-13-5-8-18-36-25)22(39-29)20-38-24-12-4-7-17-35-24/h1-3,10-11,15-16,22,24-29H,4-9,12-14,17-20H2
InChIKey
YBQVRHHWTGXDDA-UHFFFAOYSA-N
Compound name
1-[3,4-bis(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.2734 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.28068 231.9
[M+Na]+ 595.26262 230.0
[M-H]- 571.26612 246.8
[M+NH4]+ 590.30722 226.4
[M+K]+ 611.23656 232.0
[M+H-H2O]+ 555.27066 218.4
[M+HCOO]- 617.27160 235.6
[M+CH3COO]- 631.28725 235.2
[M+Na-2H]- 593.24807 224.7
[M]+ 572.27285 227.6
[M]- 572.27395 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.