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]+ 354.25398 189.1
[M+Na]+ 376.23592 190.8
[M-H]- 352.23942 194.0
[M+NH4]+ 371.28052 197.9
[M+K]+ 392.20986 185.5
[M+H-H2O]+ 336.24396 177.1
[M+HCOO]- 398.24490 205.2
[M+CH3COO]- 412.26055 218.1
[M+Na-2H]- 374.22137 190.3
[M]+ 353.24615 185.6
[M]- 353.24725 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.