CID 3051909

1-phenyl-4-((3,4,5-(trimethoxyphenyl)amino)acetyl)piperazine

Structural Information

Molecular Formula
C21H27N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)NCC(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O4/c1-26-18-13-16(14-19(27-2)21(18)28-3)22-15-20(25)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,13-14,22H,9-12,15H2,1-3H3
InChIKey
GLXSBACEJPFYQQ-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyanilino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20016 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20744 193.5
[M+Na]+ 408.18938 197.3
[M-H]- 384.19288 199.5
[M+NH4]+ 403.23398 201.3
[M+K]+ 424.16332 193.9
[M+H-H2O]+ 368.19742 181.6
[M+HCOO]- 430.19836 210.6
[M+CH3COO]- 444.21401 222.7
[M+Na-2H]- 406.17483 194.0
[M]+ 385.19961 194.0
[M]- 385.20071 194.0
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.