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

10
Patents

379.22598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 196.6
[M+Na]+ 402.215198 199.8
[M-H]- 378.218704 199.5
[M+NH4]+ 397.259803 203.5
[M+K]+ 418.189138 192.4
[M+H-H2O]+ 362.223240 183.7
[M+HCOO]- 424.224181 206.3
[M+CH3COO]- 438.239831 202.4
[M+Na-2H]- 400.200646 196.7
[M]+ 379.22543142 190.5
[M]- 379.22652858 190.5
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