CID 6087844

1-[4-(3,4-dichlorophenyl)piperazino]-3-(4-ethoxyphenyl)-2-propen-1-one

Structural Information

Molecular Formula
C21H22Cl2N2O2
SMILES
CCOC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H22Cl2N2O2/c1-2-27-18-7-3-16(4-8-18)5-10-21(26)25-13-11-24(12-14-25)17-6-9-19(22)20(23)15-17/h3-10,15H,2,11-14H2,1H3/b10-5+
InChIKey
CYRKBHUOQPGQOV-BJMVGYQFSA-N
Compound name
(E)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-(4-ethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.10583 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11311 194.6
[M+Na]+ 427.09505 201.2
[M-H]- 403.09855 199.6
[M+NH4]+ 422.13965 203.7
[M+K]+ 443.06899 193.3
[M+H-H2O]+ 387.10309 184.2
[M+HCOO]- 449.10403 200.8
[M+CH3COO]- 463.11968 219.4
[M+Na-2H]- 425.08050 193.0
[M]+ 404.10528 195.8
[M]- 404.10638 195.8
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.