CID 6410495

Brn 1092918

Structural Information

Molecular Formula
C19H24N4O3
SMILES
CCN(CC)CCOC1=NN=C2C(=C1)N(C3=C(O2)C=C(C=C3)C(=O)C)C
InChI
InChI=1S/C19H24N4O3/c1-5-23(6-2)9-10-25-18-12-16-19(21-20-18)26-17-11-14(13(3)24)7-8-15(17)22(16)4/h7-8,11-12H,5-6,9-10H2,1-4H3
InChIKey
MMFJTAABNWHMOX-UHFFFAOYSA-N
Compound name
1-[3-[2-(diethylamino)ethoxy]-5-methylpyridazino[3,4-b][1,4]benzoxazin-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.18484 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 188.9
[M+Na]+ 379.17406 196.2
[M-H]- 355.17756 191.7
[M+NH4]+ 374.21866 198.7
[M+K]+ 395.14800 193.9
[M+H-H2O]+ 339.18210 177.9
[M+HCOO]- 401.18304 204.2
[M+CH3COO]- 415.19869 224.2
[M+Na-2H]- 377.15951 193.2
[M]+ 356.18429 195.2
[M]- 356.18539 195.2
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

No patent data available for this compound.