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 176.3
[M+Na]+ 342.10922 185.8
[M-H]- 318.11272 178.9
[M+NH4]+ 337.15382 188.5
[M+K]+ 358.08316 181.4
[M+H-H2O]+ 302.11726 166.6
[M+HCOO]- 364.11820 189.4
[M+CH3COO]- 378.13385 186.4
[M+Na-2H]- 340.09467 182.8
[M]+ 319.11945 180.4
[M]- 319.12055 180.4
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.