CID 43656

8-hydroxyamoxapine

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

11
References

44
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 175.0
[M+Na]+ 352.08232 183.7
[M-H]- 328.08582 178.2
[M+NH4]+ 347.12692 184.7
[M+K]+ 368.05626 181.4
[M+H-H2O]+ 312.09036 165.0
[M+HCOO]- 374.09130 181.7
[M+CH3COO]- 388.10695 183.6
[M+Na-2H]- 350.06777 180.3
[M]+ 329.09255 170.5
[M]- 329.09365 170.5
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