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 177.2
[M+Na]+ 337.16352 184.8
[M-H]- 313.16702 179.9
[M+NH4]+ 332.20812 188.8
[M+K]+ 353.13746 182.3
[M+H-H2O]+ 297.17156 166.3
[M+HCOO]- 359.17250 194.0
[M+CH3COO]- 373.18815 214.7
[M+Na-2H]- 335.14897 184.4
[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

No literature data available for this compound.

Patent stripe

patents stripe