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]+ 310.13725 170.1
[M+Na]+ 332.11919 186.5
[M+NH4]+ 327.16379 180.0
[M+K]+ 348.09313 176.8
[M-H]- 308.12269 176.7
[M+Na-2H]- 330.10464 179.9
[M]+ 309.12942 175.0
[M]- 309.13052 175.0
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.