CID 214832

5h-pyridazino(3,4-b)(1,4)benzoxazine, 5-methyl-3-(1-piperazinyl)-

Structural Information

Molecular Formula
C15H17N5O
SMILES
CN1C2=CC=CC=C2OC3=NN=C(C=C31)N4CCNCC4
InChI
InChI=1S/C15H17N5O/c1-19-11-4-2-3-5-13(11)21-15-12(19)10-14(17-18-15)20-8-6-16-7-9-20/h2-5,10,16H,6-9H2,1H3
InChIKey
KMKHHMJOWLXRHH-UHFFFAOYSA-N
Compound name
5-methyl-3-piperazin-1-ylpyridazino[3,4-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1433 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.150576 170.4
[M+Na]+ 306.132518 177.7
[M-H]- 282.136024 170.2
[M+NH4]+ 301.177123 178.6
[M+K]+ 322.106458 171.9
[M+H-H2O]+ 266.140560 158.0
[M+HCOO]- 328.141501 178.7
[M+CH3COO]- 342.157151 178.2
[M+Na-2H]- 304.117966 176.9
[M]+ 283.14275142 165.1
[M]- 283.14384858 165.1
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.