CID 6857991

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

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]+ 368.185616 189.5
[M+Na]+ 390.167558 191.3
[M-H]- 366.171064 196.4
[M+NH4]+ 385.212163 197.4
[M+K]+ 406.141498 188.6
[M+H-H2O]+ 350.175600 178.4
[M+HCOO]- 412.176541 204.9
[M+CH3COO]- 426.192191 214.5
[M+Na-2H]- 388.153006 190.3
[M]+ 367.17779142 188.5
[M]- 367.17888858 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.