CID 135398737

Clozapine

Structural Information

Molecular Formula
C18H19ClN4
SMILES
CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
InChI
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChIKey
QZUDBNBUXVUHMW-UHFFFAOYSA-N
Compound name
3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

12660
References

48364
Patents

326.12982 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13710 178.2
[M+Na]+ 349.11904 192.7
[M+NH4]+ 344.16364 186.0
[M+K]+ 365.09298 184.7
[M-H]- 325.12254 181.7
[M+Na-2H]- 347.10449 184.7
[M]+ 326.12927 181.7
[M]- 326.13037 181.7
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