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 203.7
[M+Na]+ 440.23086 205.8
[M-H]- 416.23436 211.5
[M+NH4]+ 435.27546 209.3
[M+K]+ 456.20480 199.2
[M+H-H2O]+ 400.23890 189.7
[M+HCOO]- 462.23984 220.5
[M+CH3COO]- 476.25549 210.1
[M+Na-2H]- 438.21631 205.6
[M]+ 417.24109 200.9
[M]- 417.24219 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.