CID 16684397

Nsc639178

Structural Information

Molecular Formula
C21H24AlN3O6
SMILES
CC1=C(C(=O)C=CN1C)O[Al](OC2=C(N(C=CC2=O)C)C)OC3=C(N(C=CC3=O)C)C
InChI
InChI=1S/3C7H9NO2.Al/c3*1-5-7(10)6(9)3-4-8(5)2;/h3*3-4,10H,1-2H3;/q;;;+3/p-3
InChIKey
YMNHVFXLSFPTOC-UHFFFAOYSA-K
Compound name
3-bis[(1,2-dimethyl-4-oxopyridin-3-yl)oxy]alumanyloxy-1,2-dimethylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.14804 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.15532 201.8
[M+Na]+ 464.13726 213.3
[M-H]- 440.14076 209.4
[M+NH4]+ 459.18186 208.1
[M+K]+ 480.11120 209.5
[M+H-H2O]+ 424.14530 189.9
[M+HCOO]- 486.14624 220.6
[M+CH3COO]- 500.16189 232.8
[M+Na-2H]- 462.12271 200.5
[M]+ 441.14749 211.5
[M]- 441.14859 211.5
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.