CID 45051418

853333-45-6

Structural Information

Molecular Formula
C21H23N3O
SMILES
CN1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H23N3O/c1-23-11-13-24(14-12-23)21-15-20(16-7-9-17(25-2)10-8-16)22-19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3
InChIKey
KWCNMDPYNBVKML-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 183.5
[M+Na]+ 356.17332 200.6
[M+NH4]+ 351.21792 192.2
[M+K]+ 372.14726 190.7
[M-H]- 332.17682 190.1
[M+Na-2H]- 354.15877 193.3
[M]+ 333.18355 188.0
[M]- 333.18465 188.0
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.