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]+ 298.16625 176.4
[M+Na]+ 320.14819 184.6
[M-H]- 296.15169 177.7
[M+NH4]+ 315.19279 185.0
[M+K]+ 336.12213 179.3
[M+H-H2O]+ 280.15623 163.5
[M+HCOO]- 342.15717 185.7
[M+CH3COO]- 356.17282 184.6
[M+Na-2H]- 318.13364 181.8
[M]+ 297.15842 173.5
[M]- 297.15952 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.