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

13
Patents

347.19977 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.207046 187.5
[M+Na]+ 370.188988 192.6
[M-H]- 346.192494 192.3
[M+NH4]+ 365.233593 196.4
[M+K]+ 386.162928 185.6
[M+H-H2O]+ 330.197030 174.3
[M+HCOO]- 392.197971 201.5
[M+CH3COO]- 406.213621 195.2
[M+Na-2H]- 368.174436 191.2
[M]+ 347.19922142 184.5
[M]- 347.20031858 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