CID 6434029

Rm 23

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]+ 432.15724 203.2
[M+Na]+ 454.13918 208.3
[M-H]- 430.14268 210.9
[M+NH4]+ 449.18378 210.4
[M+K]+ 470.11312 204.3
[M+H-H2O]+ 414.14722 192.6
[M+HCOO]- 476.14816 214.9
[M+CH3COO]- 490.16381 225.9
[M+Na-2H]- 452.12463 202.2
[M]+ 431.14941 208.3
[M]- 431.15051 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.