CID 6410520

1-(4-methyl-1-piperazinyl)-10-methyl-2,3-diazaphenoxazine dihydrochloride hydrate

Structural Information

Molecular Formula
C16H19N5O
SMILES
CN1CCN(CC1)C2=C3C(=CN=N2)OC4=CC=CC=C4N3C
InChI
InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)16-15-14(11-17-18-16)22-13-6-4-3-5-12(13)20(15)2/h3-6,11H,7-10H2,1-2H3
InChIKey
XQHZZQFYXSHOPG-UHFFFAOYSA-N
Compound name
10-methyl-1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15897 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.166246 176.4
[M+Na]+ 320.148188 184.6
[M-H]- 296.151694 177.7
[M+NH4]+ 315.192793 185.0
[M+K]+ 336.122128 179.3
[M+H-H2O]+ 280.156230 163.5
[M+HCOO]- 342.157171 185.7
[M+CH3COO]- 356.172821 184.6
[M+Na-2H]- 318.133636 181.8
[M]+ 297.15842142 173.5
[M]- 297.15951858 173.5
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.