CID 658768

55931-84-5

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCN(CC)CCOC1=NN=C2C(=C1)N(C3=CC=CC=C3O2)C
InChI
InChI=1S/C17H22N4O2/c1-4-21(5-2)10-11-22-16-12-14-17(19-18-16)23-15-9-7-6-8-13(15)20(14)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey
SQQOKMXKQMFOGJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5-methylpyridazino[3,4-b][1,4]benzoxazin-3-yl)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

314.1743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 176.2
[M+Na]+ 337.16352 190.3
[M+NH4]+ 332.20812 183.5
[M+K]+ 353.13746 182.9
[M-H]- 313.16702 180.0
[M+Na-2H]- 335.14897 181.1
[M]+ 314.17375 179.3
[M]- 314.17485 179.3
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

patents stripe