CID 2728438

Maybridge3_005333

Structural Information

Molecular Formula
C22H23N3O2
SMILES
CN1CCN(CC1)C(=O)COC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C22H23N3O2/c1-24-11-13-25(14-12-24)22(26)16-27-21-15-20(17-7-3-2-4-8-17)23-19-10-6-5-9-18(19)21/h2-10,15H,11-14,16H2,1H3
InChIKey
CCSJOSOQEPSMMK-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)-2-(2-phenylquinolin-4-yl)oxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

361.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 189.5
[M+Na]+ 384.168238 194.5
[M-H]- 360.171744 194.5
[M+NH4]+ 379.212843 197.7
[M+K]+ 400.142178 188.2
[M+H-H2O]+ 344.176280 176.6
[M+HCOO]- 406.177221 202.9
[M+CH3COO]- 420.192871 197.1
[M+Na-2H]- 382.153686 192.3
[M]+ 361.17847142 186.6
[M]- 361.17956858 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe