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 184.1
[M+Na]+ 356.17332 190.6
[M-H]- 332.17682 189.6
[M+NH4]+ 351.21792 194.0
[M+K]+ 372.14726 183.9
[M+H-H2O]+ 316.18136 171.4
[M+HCOO]- 378.18230 198.5
[M+CH3COO]- 392.19795 192.7
[M+Na-2H]- 354.15877 187.5
[M]+ 333.18355 181.2
[M]- 333.18465 181.2
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.