CID 3335252

2-(4-benzylpiperazin-1-yl)-n-(4-chloro-2,5-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula
C21H26ClN3O3
SMILES
COC1=CC(=C(C=C1NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)OC)Cl
InChI
InChI=1S/C21H26ClN3O3/c1-27-19-13-18(20(28-2)12-17(19)22)23-21(26)15-25-10-8-24(9-11-25)14-16-6-4-3-5-7-16/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKey
PHZSFNXMBGTABE-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.16626 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17354 196.7
[M+Na]+ 426.15548 201.5
[M-H]- 402.15898 202.5
[M+NH4]+ 421.20008 204.9
[M+K]+ 442.12942 195.9
[M+H-H2O]+ 386.16352 185.5
[M+HCOO]- 448.16446 209.1
[M+CH3COO]- 462.18011 224.0
[M+Na-2H]- 424.14093 196.7
[M]+ 403.16571 198.2
[M]- 403.16681 198.2
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.