CID 3067179

80845-35-8

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CN1C(=O)CCC2=C1C=CC(=C2)C(=O)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c1-24-21-9-7-19(17-18(21)8-10-23(24)28)22(27)11-12-25-13-15-26(16-14-25)20-5-3-2-4-6-20/h2-7,9,17H,8,10-16H2,1H3
InChIKey
ZDMXPRFHHLSZBX-UHFFFAOYSA-N
Compound name
1-methyl-6-[3-(4-phenylpiperazin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

377.21033 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 195.3
[M+Na]+ 400.19955 198.9
[M-H]- 376.20305 199.7
[M+NH4]+ 395.24415 202.8
[M+K]+ 416.17349 192.3
[M+H-H2O]+ 360.20759 182.4
[M+HCOO]- 422.20853 205.7
[M+CH3COO]- 436.22418 201.8
[M+Na-2H]- 398.18500 194.7
[M]+ 377.20978 189.8
[M]- 377.21088 189.8
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

patents stripe