CID 6434032

Rm 35

Structural Information

Molecular Formula
C22H24ClNO4
SMILES
COC1=CC=CC=C1C(=O)/C=C/C2=C(C=CC(=C2)Cl)OCCN3CCOCC3
InChI
InChI=1S/C22H24ClNO4/c1-26-22-5-3-2-4-19(22)20(25)8-6-17-16-18(23)7-9-21(17)28-15-12-24-10-13-27-14-11-24/h2-9,16H,10-15H2,1H3/b8-6+
InChIKey
URKZSUFAQHHGPH-SOFGYWHQSA-N
Compound name
(E)-3-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-1-(2-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13937 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14665 196.3
[M+Na]+ 424.12859 201.1
[M-H]- 400.13209 203.8
[M+NH4]+ 419.17319 204.5
[M+K]+ 440.10253 196.4
[M+H-H2O]+ 384.13663 185.8
[M+HCOO]- 446.13757 208.1
[M+CH3COO]- 460.15322 219.5
[M+Na-2H]- 422.11404 196.3
[M]+ 401.13882 199.2
[M]- 401.13992 199.2
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.