CID 45051260

853349-59-4

Structural Information

Molecular Formula
C22H25N3
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)N4CCN(CC4)C
InChI
InChI=1S/C22H25N3/c1-3-17-8-10-18(11-9-17)21-16-22(25-14-12-24(2)13-15-25)19-6-4-5-7-20(19)23-21/h4-11,16H,3,12-15H2,1-2H3
InChIKey
YIYISAORDWGJAQ-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-4-(4-methylpiperazin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.20483 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21211 185.3
[M+Na]+ 354.19405 191.6
[M-H]- 330.19755 190.5
[M+NH4]+ 349.23865 195.3
[M+K]+ 370.16799 183.9
[M+H-H2O]+ 314.20209 172.6
[M+HCOO]- 376.20303 199.2
[M+CH3COO]- 390.21868 193.6
[M+Na-2H]- 352.17950 188.1
[M]+ 331.20428 181.4
[M]- 331.20538 181.4
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.