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

21
Patents

314.1743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 177.2
[M+Na]+ 337.163518 184.8
[M-H]- 313.167024 179.9
[M+NH4]+ 332.208123 188.8
[M+K]+ 353.137458 182.3
[M+H-H2O]+ 297.171560 166.3
[M+HCOO]- 359.172501 194.0
[M+CH3COO]- 373.188151 214.7
[M+Na-2H]- 335.148966 184.4
[M]+ 314.17375142 182.3
[M]- 314.17484858 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