CID 6410501

Brn 1093647

Structural Information

Molecular Formula
C20H27ClN6O
SMILES
CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)Cl)CCCN(C)C
InChI
InChI=1S/C20H27ClN6O/c1-24(2)7-4-8-27-16-6-5-15(21)13-18(16)28-20-17(27)14-19(22-23-20)26-11-9-25(3)10-12-26/h5-6,13-14H,4,7-12H2,1-3H3
InChIKey
IJZXTSSGUHCEEB-UHFFFAOYSA-N
Compound name
3-[8-chloro-3-(4-methylpiperazin-1-yl)pyridazino[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

402.19348 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20076 200.0
[M+Na]+ 425.18270 215.3
[M+NH4]+ 420.22730 206.9
[M+K]+ 441.15664 206.8
[M-H]- 401.18620 204.9
[M+Na-2H]- 423.16815 204.5
[M]+ 402.19293 203.9
[M]- 402.19403 203.9
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.