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]+ 340.17681 187.8
[M+Na]+ 362.15875 195.7
[M-H]- 338.16225 189.3
[M+NH4]+ 357.20335 194.6
[M+K]+ 378.13269 190.6
[M+H-H2O]+ 322.16679 175.0
[M+HCOO]- 384.16773 195.7
[M+CH3COO]- 398.18338 195.3
[M+Na-2H]- 360.14420 190.5
[M]+ 339.16898 186.1
[M]- 339.17008 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.