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
8
Annotation Hits

481
References

19116
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 176.3
[M+Na]+ 350.10305 185.7
[M-H]- 326.10655 181.7
[M+NH4]+ 345.14765 187.5
[M+K]+ 366.07699 183.6
[M+H-H2O]+ 310.11109 165.5
[M+HCOO]- 372.11203 185.3
[M+CH3COO]- 386.12768 185.8
[M+Na-2H]- 348.08850 181.6
[M]+ 327.11328 173.9
[M]- 327.11438 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.