CID 59883

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

Structural Information

Molecular Formula
C26H31N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)NC4=CC=CC=C4
InChI
InChI=1S/C26H31N3O2/c1-30-26-11-6-5-10-25(26)29-19-17-28(18-20-29)16-7-21-31-24-14-12-23(13-15-24)27-22-8-3-2-4-9-22/h2-6,8-15,27H,7,16-21H2,1H3
InChIKey
IIQWHHGRTWOUBJ-UHFFFAOYSA-N
Compound name
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.24164 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.24892 207.5
[M+Na]+ 440.23086 222.4
[M+NH4]+ 435.27546 214.8
[M+K]+ 456.20480 212.0
[M-H]- 416.23436 215.9
[M+Na-2H]- 438.21631 218.5
[M]+ 417.24109 212.1
[M]- 417.24219 212.1
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.