CID 131168

Compound 74-637

Structural Information

Molecular Formula
C20H27N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C20H27N3O2/c1-24-20-6-3-2-5-19(20)23-14-12-22(13-15-23)11-4-16-25-18-9-7-17(21)8-10-18/h2-3,5-10H,4,11-16,21H2,1H3
InChIKey
OVTOGSIGZHPHRK-UHFFFAOYSA-N
Compound name
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 185.6
[M+Na]+ 364.19955 198.6
[M+NH4]+ 359.24415 192.7
[M+K]+ 380.17349 190.3
[M-H]- 340.20305 191.3
[M+Na-2H]- 362.18500 193.8
[M]+ 341.20978 189.0
[M]- 341.21088 189.0
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.