CID 9847259

Dm 1451

Structural Information

Molecular Formula
C23H27Cl2N3O3
SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=C(C=C4)O)Cl)Cl
InChI
InChI=1S/C23H27Cl2N3O3/c24-22-19(6-7-20(29)23(22)25)28-12-10-27(11-13-28)9-1-2-14-31-17-5-3-16-4-8-21(30)26-18(16)15-17/h3,5-7,15,29H,1-2,4,8-14H2,(H,26,30)
InChIKey
YZIVLADPQQPFLO-UHFFFAOYSA-N
Compound name
7-[4-[4-(2,3-dichloro-4-hydroxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

22
Patents

463.14294 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.15022 209.0
[M+Na]+ 486.13216 214.4
[M-H]- 462.13566 210.5
[M+NH4]+ 481.17676 213.9
[M+K]+ 502.10610 205.7
[M+H-H2O]+ 446.14020 197.6
[M+HCOO]- 508.14114 208.0
[M+CH3COO]- 522.15679 213.8
[M+Na-2H]- 484.11761 206.6
[M]+ 463.14239 207.4
[M]- 463.14349 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe