CID 136728535

6-hydroxyclozapine-sulfate

Structural Information

Molecular Formula
C18H19ClN4O4S
SMILES
CN1CCN(CC1)C2=NC3=C(C(=CC(=C3)Cl)OS(=O)(=O)O)NC4=CC=CC=C42
InChI
InChI=1S/C18H19ClN4O4S/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)27-28(24,25)26/h2-5,10-11,20H,6-9H2,1H3,(H,24,25,26)
InChIKey
BXIVFSIWKQIYDU-UHFFFAOYSA-N
Compound name
[3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepin-1-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.08154 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08882 196.2
[M+Na]+ 445.07076 207.9
[M+NH4]+ 440.11536 201.1
[M+K]+ 461.04470 201.4
[M-H]- 421.07426 196.8
[M+Na-2H]- 443.05621 199.8
[M]+ 422.08099 198.7
[M]- 422.08209 198.7
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.