CID 453076

4-(4-methyl-1-piperazinyl)-2-(2-thienyl)quinoline

Structural Information

Molecular Formula
C18H19N3S
SMILES
CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
InChI
InChI=1S/C18H19N3S/c1-20-8-10-21(11-9-20)17-13-16(18-7-4-12-22-18)19-15-6-3-2-5-14(15)17/h2-7,12-13H,8-11H2,1H3
InChIKey
OHIXLXNUKMHJJF-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-2-thiophen-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.12997 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.137246 171.2
[M+Na]+ 332.119188 180.6
[M-H]- 308.122694 178.1
[M+NH4]+ 327.163793 185.4
[M+K]+ 348.093128 173.7
[M+H-H2O]+ 292.127230 161.6
[M+HCOO]- 354.128171 184.8
[M+CH3COO]- 368.143821 181.9
[M+Na-2H]- 330.104636 172.5
[M]+ 309.12942142 171.1
[M]- 309.13051858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.