CID 6410496

Brn 1013232

Structural Information

Molecular Formula
C13H12ClN3O2
SMILES
CCOC1=CC2=C(C=C1)N(C3=CC(=NN=C3O2)Cl)C
InChI
InChI=1S/C13H12ClN3O2/c1-3-18-8-4-5-9-11(6-8)19-13-10(17(9)2)7-12(14)15-16-13/h4-7H,3H2,1-2H3
InChIKey
APFOQBWDKWZTHT-UHFFFAOYSA-N
Compound name
3-chloro-8-ethoxy-5-methylpyridazino[3,4-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0618 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06908 161.0
[M+Na]+ 300.05102 172.8
[M-H]- 276.05452 163.1
[M+NH4]+ 295.09562 175.1
[M+K]+ 316.02496 168.5
[M+H-H2O]+ 260.05906 151.9
[M+HCOO]- 322.06000 172.9
[M+CH3COO]- 336.07565 172.7
[M+Na-2H]- 298.03647 169.1
[M]+ 277.06125 166.6
[M]- 277.06235 166.6
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.