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]+ 284.15058 170.4
[M+Na]+ 306.13252 177.7
[M-H]- 282.13602 170.2
[M+NH4]+ 301.17712 178.6
[M+K]+ 322.10646 171.9
[M+H-H2O]+ 266.14056 158.0
[M+HCOO]- 328.14150 178.7
[M+CH3COO]- 342.15715 178.2
[M+Na-2H]- 304.11797 176.9
[M]+ 283.14275 165.1
[M]- 283.14385 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.