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]+ 342.217606 184.4
[M+Na]+ 364.199548 188.2
[M-H]- 340.203054 189.5
[M+NH4]+ 359.244153 193.8
[M+K]+ 380.173488 183.1
[M+H-H2O]+ 324.207590 172.7
[M+HCOO]- 386.208531 201.7
[M+CH3COO]- 400.224181 214.1
[M+Na-2H]- 362.184996 186.0
[M]+ 341.20978142 181.7
[M]- 341.21087858 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.