CID 212710

24721-01-5

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCN(CC)CCN1C(=O)C=C2C(=N1)OC3=CC=CC=C3N2C
InChI
InChI=1S/C17H22N4O2/c1-4-20(5-2)10-11-21-16(22)12-14-17(18-21)23-15-9-7-6-8-13(15)19(14)3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKey
MDMCXAZIKCFUDW-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-5-methylpyridazino[3,4-b][1,4]benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 175.8
[M+Na]+ 337.16352 190.4
[M+NH4]+ 332.20812 182.8
[M+K]+ 353.13746 183.0
[M-H]- 313.16702 179.4
[M+Na-2H]- 335.14897 180.4
[M]+ 314.17375 178.9
[M]- 314.17485 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.