CID 6410494

Brn 1093211

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16953 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.176806 187.8
[M+Na]+ 362.158748 195.7
[M-H]- 338.162254 189.3
[M+NH4]+ 357.203353 194.6
[M+K]+ 378.132688 190.6
[M+H-H2O]+ 322.166790 175.0
[M+HCOO]- 384.167731 195.7
[M+CH3COO]- 398.183381 195.3
[M+Na-2H]- 360.144196 190.5
[M]+ 339.16898142 186.1
[M]- 339.17007858 186.1
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.