CID 24802973

Vk-ii-36

Structural Information

Molecular Formula
C26H26N2O5
SMILES
COC1=CC=CC=C1OCCN2CC(OCC2=O)COC3=CC=CC4=C3C5=CC=CC=C5N4
InChI
InChI=1S/C26H26N2O5/c1-30-22-10-4-5-11-23(22)31-14-13-28-15-18(32-17-25(28)29)16-33-24-12-6-9-21-26(24)19-7-2-3-8-20(19)27-21/h2-12,18,27H,13-17H2,1H3
InChIKey
OPUVSUMPCOUABG-UHFFFAOYSA-N
Compound name
6-(9H-carbazol-4-yloxymethyl)-4-[2-(2-methoxyphenoxy)ethyl]morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

446.18417 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19145 209.5
[M+Na]+ 469.17339 224.7
[M+NH4]+ 464.21799 216.0
[M+K]+ 485.14733 218.0
[M-H]- 445.17689 215.9
[M+Na-2H]- 467.15884 215.3
[M]+ 446.18362 213.5
[M]- 446.18472 213.5
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