CID 6410488

Brn 1090518

Structural Information

Molecular Formula
C16H20N6O
SMILES
CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)N)C
InChI
InChI=1S/C16H20N6O/c1-20-5-7-22(8-6-20)15-10-13-16(19-18-15)23-14-9-11(17)3-4-12(14)21(13)2/h3-4,9-10H,5-8,17H2,1-2H3
InChIKey
NGKLMHJPBKDIFN-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16986 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17714 181.6
[M+Na]+ 335.15908 190.1
[M-H]- 311.16258 183.0
[M+NH4]+ 330.20368 189.4
[M+K]+ 351.13302 184.3
[M+H-H2O]+ 295.16712 169.1
[M+HCOO]- 357.16806 191.5
[M+CH3COO]- 371.18371 189.5
[M+Na-2H]- 333.14453 186.1
[M]+ 312.16931 177.8
[M]- 312.17041 177.8
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.