CID 3044972

57961-94-1

Structural Information

Molecular Formula
C22H25N3O
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC3=NC4=CC=CC=C4C=C3
InChI
InChI=1S/C22H25N3O/c1-26-22-9-5-4-8-21(22)25-16-14-24(15-17-25)13-12-19-11-10-18-6-2-3-7-20(18)23-19/h2-11H,12-17H2,1H3
InChIKey
DLDKERYAZGDBHR-UHFFFAOYSA-N
Compound name
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

347.19977 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 187.5
[M+Na]+ 370.18899 192.6
[M-H]- 346.19249 192.3
[M+NH4]+ 365.23359 196.4
[M+K]+ 386.16293 185.6
[M+H-H2O]+ 330.19703 174.3
[M+HCOO]- 392.19797 201.5
[M+CH3COO]- 406.21362 195.2
[M+Na-2H]- 368.17444 191.2
[M]+ 347.19922 184.5
[M]- 347.20032 184.5
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

patents stripe