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]+ 270.134936 164.1
[M+Na]+ 292.116878 170.6
[M-H]- 268.120384 162.5
[M+NH4]+ 287.161483 171.9
[M+K]+ 308.090818 164.2
[M+H-H2O]+ 252.124920 152.1
[M+HCOO]- 314.125861 171.4
[M+CH3COO]- 328.141511 171.5
[M+Na-2H]- 290.102326 171.7
[M]+ 269.12711142 156.5
[M]- 269.12820858 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.