CID 6410484

61939-60-4

Structural Information

Molecular Formula
C16H18N6O3
SMILES
CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)[N+](=O)[O-])C
InChI
InChI=1S/C16H18N6O3/c1-19-5-7-21(8-6-19)15-10-13-16(18-17-15)25-14-9-11(22(23)24)3-4-12(14)20(13)2/h3-4,9-10H,5-8H2,1-2H3
InChIKey
LIHBWRNUCDBENQ-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylpiperazin-1-yl)-8-nitropyridazino[3,4-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14404 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15132 182.2
[M+Na]+ 365.13326 188.7
[M-H]- 341.13676 184.2
[M+NH4]+ 360.17786 187.9
[M+K]+ 381.10720 180.1
[M+H-H2O]+ 325.14130 173.8
[M+HCOO]- 387.14224 192.5
[M+CH3COO]- 401.15789 209.0
[M+Na-2H]- 363.11871 190.0
[M]+ 342.14349 178.2
[M]- 342.14459 178.2
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.