CID 3964

Loxapine

Structural Information

Molecular Formula
C18H18ClN3O
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChIKey
XJGVXQDUIWGIRW-UHFFFAOYSA-N
Compound name
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

481
References

17918
Patents

327.11383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12111 179.3
[M+Na]+ 350.10305 194.5
[M+NH4]+ 345.14765 187.6
[M+K]+ 366.07699 186.5
[M-H]- 326.10655 184.7
[M+Na-2H]- 348.08850 185.7
[M]+ 327.11328 183.6
[M]- 327.11438 183.6
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