CID 3067092

80834-64-6

Structural Information

Molecular Formula
C23H29N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCC3=CC4=C(C=C3)NC(=O)CC4
InChI
InChI=1S/C23H29N3O2/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-18-8-10-20-19(17-18)9-11-23(27)24-20/h2-3,6-8,10,17H,4-5,9,11-16H2,1H3,(H,24,27)
InChIKey
KGUDNVAUAZHJCX-UHFFFAOYSA-N
Compound name
6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

379.22598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 197.2
[M+Na]+ 402.21520 211.0
[M+NH4]+ 397.25980 204.2
[M+K]+ 418.18914 201.8
[M-H]- 378.21870 202.0
[M+Na-2H]- 400.20065 203.5
[M]+ 379.22543 200.5
[M]- 379.22653 200.5
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