CID 6410517

10h-pyridazino(4,5-b)(1,4)benzoxazine, 7-acetyl-10-methyl-1-(4-methyl-1-piperazinyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula
C18H21N5O2
SMILES
CC(=O)C1=CC2=C(C=C1)N(C3=C(N=NC=C3O2)N4CCN(CC4)C)C
InChI
InChI=1S/C18H21N5O2/c1-12(24)13-4-5-14-15(10-13)25-16-11-19-20-18(17(16)22(14)3)23-8-6-21(2)7-9-23/h4-5,10-11H,6-9H2,1-3H3
InChIKey
WUGPBQKSFRPKEG-UHFFFAOYSA-N
Compound name
1-[10-methyl-1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazin-7-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17681 184.7
[M+Na]+ 362.15875 199.8
[M+NH4]+ 357.20335 191.0
[M+K]+ 378.13269 193.0
[M-H]- 338.16225 188.2
[M+Na-2H]- 360.14420 188.7
[M]+ 339.16898 187.8
[M]- 339.17008 187.8
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.