CID 6410498

Brn 1088751

Structural Information

Molecular Formula
C15H16Cl2N4O
SMILES
CN(C)CCCN1C2=CC(=NN=C2OC3=C1C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H16Cl2N4O/c1-20(2)6-3-7-21-11-8-10(16)4-5-13(11)22-15-12(21)9-14(17)18-19-15/h4-5,8-9H,3,6-7H2,1-2H3
InChIKey
FYZHBGKHUONEOW-UHFFFAOYSA-N
Compound name
3-(3,7-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 176.4
[M+Na]+ 361.05935 186.8
[M-H]- 337.06285 178.5
[M+NH4]+ 356.10395 188.7
[M+K]+ 377.03329 181.9
[M+H-H2O]+ 321.06739 166.9
[M+HCOO]- 383.06833 183.8
[M+CH3COO]- 397.08398 186.4
[M+Na-2H]- 359.04480 182.4
[M]+ 338.06958 183.0
[M]- 338.07068 183.0
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.