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 181.9
[M+Na]+ 366.12179 190.7
[M-H]- 342.12529 183.3
[M+NH4]+ 361.16639 192.7
[M+K]+ 382.09573 180.9
[M+H-H2O]+ 326.12983 172.6
[M+HCOO]- 388.13077 187.2
[M+CH3COO]- 402.14642 189.3
[M+Na-2H]- 364.10724 189.2
[M]+ 343.13202 174.8
[M]- 343.13312 174.8
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.