CID 6410569

Brn 1093932

Structural Information

Molecular Formula
C19H20N6OS
SMILES
CN1CCN(CC1)C2=NN=C3C(=C2)N(CC4=CC=CC=C4O3)C5=NC=CS5
InChI
InChI=1S/C19H20N6OS/c1-23-7-9-24(10-8-23)17-12-15-18(22-21-17)26-16-5-3-2-4-14(16)13-25(15)19-20-6-11-27-19/h2-6,11-12H,7-10,13H2,1H3
InChIKey
WTOAYLYMQKUGDN-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-5-(1,3-thiazol-2-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14922 194.3
[M+Na]+ 403.13116 207.6
[M+NH4]+ 398.17576 200.8
[M+K]+ 419.10510 201.0
[M-H]- 379.13466 199.1
[M+Na-2H]- 401.11661 199.4
[M]+ 380.14139 198.1
[M]- 380.14249 198.1
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.