CID 6410514

64610-67-9

Structural Information

Molecular Formula
C16H18ClN5O
SMILES
CN1CCN(CC1)C2=C3C(=CN=N2)OC4=C(N3C)C=CC(=C4)Cl
InChI
InChI=1S/C16H18ClN5O/c1-20-5-7-22(8-6-20)16-15-14(10-18-19-16)23-13-9-11(17)3-4-12(13)21(15)2/h3-4,9-10H,5-8H2,1-2H3
InChIKey
KMRUTQCOSVKAEB-UHFFFAOYSA-N
Compound name
7-chloro-10-methyl-1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12728 182.4
[M+Na]+ 354.10922 192.0
[M-H]- 330.11272 183.6
[M+NH4]+ 349.15382 190.7
[M+K]+ 370.08316 185.7
[M+H-H2O]+ 314.11726 169.7
[M+HCOO]- 376.11820 186.9
[M+CH3COO]- 390.13385 190.4
[M+Na-2H]- 352.09467 186.5
[M]+ 331.11945 181.8
[M]- 331.12055 181.8
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.