CID 6410489

Brn 1088752

Structural Information

Molecular Formula
C15H18ClN5O
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)N)OC3=NN=C(C=C31)Cl
InChI
InChI=1S/C15H18ClN5O/c1-20(2)6-3-7-21-11-5-4-10(17)8-13(11)22-15-12(21)9-14(16)18-19-15/h4-5,8-9H,3,6-7,17H2,1-2H3
InChIKey
TYOBJQOKXPROTO-UHFFFAOYSA-N
Compound name
3-chloro-5-[3-(dimethylamino)propyl]pyridazino[3,4-b][1,4]benzoxazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.12 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12728 174.5
[M+Na]+ 342.10922 189.2
[M+NH4]+ 337.15382 182.3
[M+K]+ 358.08316 181.6
[M-H]- 318.11272 179.0
[M+Na-2H]- 340.09467 179.5
[M]+ 319.11945 178.2
[M]- 319.12055 178.2
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.