CID 35958

31858-72-7

Structural Information

Molecular Formula
C23H28ClNO6
SMILES
COC1=CC(=CC(=C1OCCOCCN2CCOCC2)OC)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H28ClNO6/c1-27-20-15-18(22(26)17-3-5-19(24)6-4-17)16-21(28-2)23(20)31-14-13-30-12-9-25-7-10-29-11-8-25/h3-6,15-16H,7-14H2,1-2H3
InChIKey
YNDNXGTXNIOZDQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[3,5-dimethoxy-4-[2-(2-morpholin-4-ylethoxy)ethoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16052 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.16780 205.9
[M+Na]+ 472.14974 210.3
[M-H]- 448.15324 213.5
[M+NH4]+ 467.19434 212.2
[M+K]+ 488.12368 207.7
[M+H-H2O]+ 432.15778 195.0
[M+HCOO]- 494.15872 217.5
[M+CH3COO]- 508.17437 229.3
[M+Na-2H]- 470.13519 205.2
[M]+ 449.15997 213.2
[M]- 449.16107 213.2
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.