CID 24841967

1-(2-(p-anisidino)propyl)-4-phenethylpiperazine dioxalate

Structural Information

Molecular Formula
C22H31N3O
SMILES
CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C22H31N3O/c1-19(23-21-8-10-22(26-2)11-9-21)18-25-16-14-24(15-17-25)13-12-20-6-4-3-5-7-20/h3-11,19,23H,12-18H2,1-2H3
InChIKey
UYFURTAZZDACIZ-UHFFFAOYSA-N
Compound name
4-methoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2467 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.253976 189.1
[M+Na]+ 376.235918 190.8
[M-H]- 352.239424 194.0
[M+NH4]+ 371.280523 197.9
[M+K]+ 392.209858 185.5
[M+H-H2O]+ 336.243960 177.1
[M+HCOO]- 398.244901 205.2
[M+CH3COO]- 412.260551 218.1
[M+Na-2H]- 374.221366 190.3
[M]+ 353.24615142 185.6
[M]- 353.24724858 185.6
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.