CID 135508764

8-hydroxy-desmethyl-clozapine

Structural Information

Molecular Formula
C17H18N4O
SMILES
C1CN(CCN1)C2=NC3=C(C=CC(=C3)O)NC4=CC=CC=C42
InChI
InChI=1S/C17H18N4O/c22-12-5-6-15-16(11-12)20-17(21-9-7-18-8-10-21)13-3-1-2-4-14(13)19-15/h1-6,11,18-19,22H,7-10H2
InChIKey
SDLNSKFYCGPTMW-UHFFFAOYSA-N
Compound name
6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

294.14807 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 172.1
[M+Na]+ 317.13729 178.4
[M-H]- 293.14079 172.3
[M+NH4]+ 312.18189 181.2
[M+K]+ 333.11123 174.4
[M+H-H2O]+ 277.14533 161.5
[M+HCOO]- 339.14627 181.1
[M+CH3COO]- 353.16192 179.3
[M+Na-2H]- 315.12274 177.7
[M]+ 294.14752 162.2
[M]- 294.14862 162.2
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