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

10
Patents

377.21033 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.217606 195.3
[M+Na]+ 400.199548 198.9
[M-H]- 376.203054 199.7
[M+NH4]+ 395.244153 202.8
[M+K]+ 416.173488 192.3
[M+H-H2O]+ 360.207590 182.4
[M+HCOO]- 422.208531 205.7
[M+CH3COO]- 436.224181 201.8
[M+Na-2H]- 398.184996 194.7
[M]+ 377.20978142 189.8
[M]- 377.21087858 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