CID 46191

Acetophenone, 2'-((2-hydroxy-3-(4-(m-methoxyphenyl)piperazinyl))propoxy)-, dihydrochloride

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C22H28N2O4/c1-17(25)21-8-3-4-9-22(21)28-16-19(26)15-23-10-12-24(13-11-23)18-6-5-7-20(14-18)27-2/h3-9,14,19,26H,10-13,15-16H2,1-2H3
InChIKey
JLXRIOXEJFEJQZ-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 193.7
[M+Na]+ 407.19412 196.3
[M-H]- 383.19762 197.9
[M+NH4]+ 402.23872 200.8
[M+K]+ 423.16806 192.4
[M+H-H2O]+ 367.20216 182.3
[M+HCOO]- 429.20310 206.9
[M+CH3COO]- 443.21875 218.4
[M+Na-2H]- 405.17957 192.3
[M]+ 384.20435 192.5
[M]- 384.20545 192.5
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.