CID 59879

Benzenamine, n,n-dimethyl-4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-, trihydrochloride

Structural Information

Molecular Formula
C22H31N3O2
SMILES
CN(C)C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C22H31N3O2/c1-23(2)19-9-11-20(12-10-19)27-18-6-13-24-14-16-25(17-15-24)21-7-4-5-8-22(21)26-3/h4-5,7-12H,6,13-18H2,1-3H3
InChIKey
OIHYFAHRNRJMBD-UHFFFAOYSA-N
Compound name
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.24164 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 192.9
[M+Na]+ 392.23086 195.8
[M-H]- 368.23436 199.5
[M+NH4]+ 387.27546 201.9
[M+K]+ 408.20480 192.0
[M+H-H2O]+ 352.23890 180.5
[M+HCOO]- 414.23984 210.6
[M+CH3COO]- 428.25549 223.8
[M+Na-2H]- 390.21631 193.7
[M]+ 369.24109 193.0
[M]- 369.24219 193.0
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.