CID 6410511

Brn 0632875

Structural Information

Molecular Formula
C18H24N6O3S
SMILES
CN1CCN(CC1)C2=C3C(=CN=N2)OC4=C(N3C)C=CC(=C4)S(=O)(=O)N(C)C
InChI
InChI=1S/C18H24N6O3S/c1-21(2)28(25,26)13-5-6-14-15(11-13)27-16-12-19-20-18(17(16)23(14)4)24-9-7-22(3)8-10-24/h5-6,11-12H,7-10H2,1-4H3
InChIKey
ZNVSFKBPPUEMHK-UHFFFAOYSA-N
Compound name
N,N,10-trimethyl-1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazine-7-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.16306 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17034 197.9
[M+Na]+ 427.15228 205.9
[M-H]- 403.15578 201.0
[M+NH4]+ 422.19688 203.3
[M+K]+ 443.12622 201.9
[M+H-H2O]+ 387.16032 187.0
[M+HCOO]- 449.16126 202.9
[M+CH3COO]- 463.17691 205.0
[M+Na-2H]- 425.13773 201.6
[M]+ 404.16251 200.0
[M]- 404.16361 200.0
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.