CID 6857991

(z)-3-(2-(2-morpholinoethoxy)phenoxy)-4-phenyl-3-buten-2-one hydrochloride

Structural Information

Molecular Formula
C22H25NO4
SMILES
CC(=O)/C(=C/C1=CC=CC=C1)/OC2=CC=CC=C2OCCN3CCOCC3
InChI
InChI=1S/C22H25NO4/c1-18(24)22(17-19-7-3-2-4-8-19)27-21-10-6-5-9-20(21)26-16-13-23-11-14-25-15-12-23/h2-10,17H,11-16H2,1H3/b22-17-
InChIKey
FAISQGBVANYYLV-XLNRJJMWSA-N
Compound name
(Z)-3-[2-(2-morpholin-4-ylethoxy)phenoxy]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 189.5
[M+Na]+ 390.16756 191.3
[M-H]- 366.17106 196.4
[M+NH4]+ 385.21216 197.4
[M+K]+ 406.14150 188.6
[M+H-H2O]+ 350.17560 178.4
[M+HCOO]- 412.17654 204.9
[M+CH3COO]- 426.19219 214.5
[M+Na-2H]- 388.15301 190.3
[M]+ 367.17779 188.5
[M]- 367.17889 188.5
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.