CID 28737

Brn 1605299

Structural Information

Molecular Formula
C21H25ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C21H25ClN2O4/c1-26-19-12-15(13-20(27-2)21(19)28-3)18(25)14-23-8-10-24(11-9-23)17-7-5-4-6-16(17)22/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
RQNRHFFZESIVSE-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1503 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15758 195.2
[M+Na]+ 427.13952 201.6
[M-H]- 403.14302 201.5
[M+NH4]+ 422.18412 203.8
[M+K]+ 443.11346 196.8
[M+H-H2O]+ 387.14756 184.3
[M+HCOO]- 449.14850 206.7
[M+CH3COO]- 463.16415 222.9
[M+Na-2H]- 425.12497 194.0
[M]+ 404.14975 199.2
[M]- 404.15085 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.