CID 162242

7-hydroxyamoxapine

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
C1CN(CCN1)C2=NC3=C(C=C(C=C3)O)OC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C17H16ClN3O2/c18-11-1-4-15-13(9-11)17(21-7-5-19-6-8-21)20-14-3-2-12(22)10-16(14)23-15/h1-4,9-10,19,22H,5-8H2
InChIKey
MEUGUMOVYNSGEW-UHFFFAOYSA-N
Compound name
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

378
Patents

329.0931 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10038 178.0
[M+Na]+ 352.08232 191.9
[M+NH4]+ 347.12692 185.3
[M+K]+ 368.05626 185.3
[M-H]- 328.08582 182.2
[M+Na-2H]- 350.06777 183.3
[M]+ 329.09255 181.6
[M]- 329.09365 181.6
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