CID 6410472

51026-19-8

Structural Information

Molecular Formula
C14H15N5O
SMILES
C1CN(CCN1)C2=NN=C3C(=C2)NC4=CC=CC=C4O3
InChI
InChI=1S/C14H15N5O/c1-2-4-12-10(3-1)16-11-9-13(17-18-14(11)20-12)19-7-5-15-6-8-19/h1-4,9,15-16H,5-8H2
InChIKey
CNKMDJBDZAQJTH-UHFFFAOYSA-N
Compound name
3-piperazin-1-yl-5H-pyridazino[3,4-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.12766 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 164.1
[M+Na]+ 292.11688 170.6
[M-H]- 268.12038 162.5
[M+NH4]+ 287.16148 171.9
[M+K]+ 308.09082 164.2
[M+H-H2O]+ 252.12492 152.1
[M+HCOO]- 314.12586 171.4
[M+CH3COO]- 328.14151 171.5
[M+Na-2H]- 290.10233 171.7
[M]+ 269.12711 156.5
[M]- 269.12821 156.5
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.