CID 137162974

N-oxideclozapine

Structural Information

Molecular Formula
C18H20ClN4O
SMILES
C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)O
InChI
InChI=1S/C18H20ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20,24H,8-11H2,1H3/q+1
InChIKey
GAJYCGWBHYOPMT-UHFFFAOYSA-N
Compound name
3-chloro-6-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.13257 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.13985 178.3
[M+Na]+ 366.12179 193.9
[M+NH4]+ 361.16639 187.8
[M+K]+ 382.09573 185.5
[M-H]- 342.12529 182.6
[M+Na-2H]- 364.10724 186.3
[M]+ 343.13202 182.6
[M]- 343.13312 182.6
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

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