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]+ 334.19138 183.9
[M+Na]+ 356.17332 190.1
[M-H]- 332.17682 188.1
[M+NH4]+ 351.21792 193.2
[M+K]+ 372.14726 182.6
[M+H-H2O]+ 316.18136 171.8
[M+HCOO]- 378.18230 196.9
[M+CH3COO]- 392.19795 191.9
[M+Na-2H]- 354.15877 187.1
[M]+ 333.18355 179.4
[M]- 333.18465 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.