CID 169502279

6-hydroxyclozapine

Structural Information

Molecular Formula
C18H19ClN4O
SMILES
CN1CCN(CC1)C2=NC3=C(C(=CC(=C3)Cl)O)NC4=CC=CC=C42
InChI
InChI=1S/C18H19ClN4O/c1-22-6-8-23(9-7-22)18-13-4-2-3-5-14(13)20-17-15(21-18)10-12(19)11-16(17)24/h2-5,10-11,20,24H,6-9H2,1H3
InChIKey
ZPBGNLCGVQZUAH-UHFFFAOYSA-N
Compound name
3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12473 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13201 181.4
[M+Na]+ 365.11395 195.3
[M+NH4]+ 360.15855 188.4
[M+K]+ 381.08789 188.2
[M-H]- 341.11745 184.1
[M+Na-2H]- 363.09940 186.8
[M]+ 342.12418 184.5
[M]- 342.12528 184.5
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.