CID 6410497

Brn 1088753

Structural Information

Molecular Formula
C15H16Cl2N4O
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)Cl)OC3=NN=C(C=C31)Cl
InChI
InChI=1S/C15H16Cl2N4O/c1-20(2)6-3-7-21-11-5-4-10(16)8-13(11)22-15-12(21)9-14(17)18-19-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKey
AXZUZCGJTDBQSU-UHFFFAOYSA-N
Compound name
3-(3,8-dichloropyridazino[3,4-b][1,4]benzoxazin-5-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.07013 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07741 176.1
[M+Na]+ 361.05935 192.9
[M+NH4]+ 356.10395 184.7
[M+K]+ 377.03329 183.8
[M-H]- 337.06285 180.4
[M+Na-2H]- 359.04480 181.8
[M]+ 338.06958 180.5
[M]- 338.07068 180.5
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.