CID 6448082

80834-55-5

Structural Information

Molecular Formula
C22H24ClN3O
SMILES
C1CC(=O)NC2=C1C=C(C=C2)/C=C/CN3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H24ClN3O/c23-19-4-1-5-20(16-19)26-13-11-25(12-14-26)10-2-3-17-6-8-21-18(15-17)7-9-22(27)24-21/h1-6,8,15-16H,7,9-14H2,(H,24,27)/b3-2+
InChIKey
OINBUEIJCDYAKA-NSCUHMNNSA-N
Compound name
6-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-1-enyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

381.1608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16808 194.5
[M+Na]+ 404.15002 209.9
[M+NH4]+ 399.19462 202.2
[M+K]+ 420.12396 199.4
[M-H]- 380.15352 199.6
[M+Na-2H]- 402.13547 201.5
[M]+ 381.16025 198.4
[M]- 381.16135 198.4
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

patents stripe