CID 55416

Brn 4548820

Structural Information

Molecular Formula
C20H27N3O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C20H27N3O2/c1-24-19-9-5-18(6-10-19)23-14-12-22(13-15-23)11-2-16-25-20-7-3-17(21)4-8-20/h3-10H,2,11-16,21H2,1H3
InChIKey
VQCAOOCIZVNBRG-UHFFFAOYSA-N
Compound name
4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.21761 184.4
[M+Na]+ 364.19955 188.2
[M-H]- 340.20305 189.5
[M+NH4]+ 359.24415 193.8
[M+K]+ 380.17349 183.1
[M+H-H2O]+ 324.20759 172.7
[M+HCOO]- 386.20853 201.7
[M+CH3COO]- 400.22418 214.1
[M+Na-2H]- 362.18500 186.0
[M]+ 341.20978 181.7
[M]- 341.21088 181.7
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.