CID 45051421

853333-46-7

Structural Information

Molecular Formula
C21H23N3O
SMILES
CC1CNCCN1C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H23N3O/c1-15-14-22-11-12-24(15)21-13-20(16-7-9-17(25-2)10-8-16)23-19-6-4-3-5-18(19)21/h3-10,13,15,22H,11-12,14H2,1-2H3
InChIKey
OOBNRRMBCKHQPS-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-(2-methylpiperazin-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.191376 183.9
[M+Na]+ 356.173318 190.1
[M-H]- 332.176824 188.1
[M+NH4]+ 351.217923 193.2
[M+K]+ 372.147258 182.6
[M+H-H2O]+ 316.181360 171.8
[M+HCOO]- 378.182301 196.9
[M+CH3COO]- 392.197951 191.9
[M+Na-2H]- 354.158766 187.1
[M]+ 333.18355142 179.4
[M]- 333.18464858 179.4
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.