CID 6434029

Chalcone, 5'-chloro-3,4-dimethoxy-2'-(2-morpholinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C23H26ClNO5
SMILES
COC1=C(C=C(C=C1)C(=O)/C=C/C2=C(C=CC(=C2)Cl)OCCN3CCOCC3)OC
InChI
InChI=1S/C23H26ClNO5/c1-27-22-7-4-17(16-23(22)28-2)20(26)6-3-18-15-19(24)5-8-21(18)30-14-11-25-9-12-29-13-10-25/h3-8,15-16H,9-14H2,1-2H3/b6-3+
InChIKey
YDVUWEAVQWAPBG-ZZXKWVIFSA-N
Compound name
(E)-3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14996 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.157236 203.2
[M+Na]+ 454.139178 208.3
[M-H]- 430.142684 210.9
[M+NH4]+ 449.183783 210.4
[M+K]+ 470.113118 204.3
[M+H-H2O]+ 414.147220 192.6
[M+HCOO]- 476.148161 214.9
[M+CH3COO]- 490.163811 225.9
[M+Na-2H]- 452.124626 202.2
[M]+ 431.14941142 208.3
[M]- 431.15050858 208.3
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.