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 177.5
[M+Na]+ 337.16352 186.3
[M-H]- 313.16702 180.6
[M+NH4]+ 332.20812 189.4
[M+K]+ 353.13746 183.2
[M+H-H2O]+ 297.17156 166.9
[M+HCOO]- 359.17250 194.3
[M+CH3COO]- 373.18815 215.4
[M+Na-2H]- 335.14897 183.8
[M]+ 314.17375 182.3
[M]- 314.17485 182.3
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.