CID 2170

Amoxapine

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
InChIKey
QWGDMFLQWFTERH-UHFFFAOYSA-N
Compound name
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

470
References

27894
Patents

313.09818 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10546 174.9
[M+Na]+ 336.08740 189.4
[M+NH4]+ 331.13200 183.0
[M+K]+ 352.06134 181.8
[M-H]- 312.09090 179.9
[M+Na-2H]- 334.07285 181.3
[M]+ 313.09763 178.9
[M]- 313.09873 178.9
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