CID 6410499

Brn 1091733

Structural Information

Molecular Formula
C18H23N5O2
SMILES
CCOC1=CC2=C(C=C1)N(C3=CC(=NN=C3O2)N4CCN(CC4)C)C
InChI
InChI=1S/C18H23N5O2/c1-4-24-13-5-6-14-16(11-13)25-18-15(22(14)3)12-17(19-20-18)23-9-7-21(2)8-10-23/h5-6,11-12H,4,7-10H2,1-3H3
InChIKey
TUBWLNXTIJPBLY-UHFFFAOYSA-N
Compound name
8-ethoxy-5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.18518 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19246 189.3
[M+Na]+ 364.17440 197.2
[M-H]- 340.17790 190.6
[M+NH4]+ 359.21900 196.2
[M+K]+ 380.14834 192.2
[M+H-H2O]+ 324.18244 176.1
[M+HCOO]- 386.18338 198.0
[M+CH3COO]- 400.19903 196.7
[M+Na-2H]- 362.15985 192.9
[M]+ 341.18463 188.7
[M]- 341.18573 188.7
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.