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]+ 418.248916 203.7
[M+Na]+ 440.230858 205.8
[M-H]- 416.234364 211.5
[M+NH4]+ 435.275463 209.3
[M+K]+ 456.204798 199.2
[M+H-H2O]+ 400.238900 189.7
[M+HCOO]- 462.239841 220.5
[M+CH3COO]- 476.255491 210.1
[M+Na-2H]- 438.216306 205.6
[M]+ 417.24109142 200.9
[M]- 417.24218858 200.9
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.