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]+ 334.191376 184.1
[M+Na]+ 356.173318 190.6
[M-H]- 332.176824 189.6
[M+NH4]+ 351.217923 194.0
[M+K]+ 372.147258 183.9
[M+H-H2O]+ 316.181360 171.4
[M+HCOO]- 378.182301 198.5
[M+CH3COO]- 392.197951 192.7
[M+Na-2H]- 354.158766 187.5
[M]+ 333.18355142 181.2
[M]- 333.18464858 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.