CID 3052627

3(2h)-pyridazinone, 5-dimethylamino-4-ethoxy-2-methyl-

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCOC1=C(C=NN(C1=O)C)N(C)C
InChI
InChI=1S/C9H15N3O2/c1-5-14-8-7(11(2)3)6-10-12(4)9(8)13/h6H,5H2,1-4H3
InChIKey
PNZOLYZFZYIJDS-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-4-ethoxy-2-methylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

197.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 141.4
[M+Na]+ 220.105638 151.2
[M-H]- 196.109144 144.5
[M+NH4]+ 215.150243 159.2
[M+K]+ 236.079578 150.7
[M+H-H2O]+ 180.113680 133.8
[M+HCOO]- 242.114621 165.5
[M+CH3COO]- 256.130271 191.8
[M+Na-2H]- 218.091086 147.1
[M]+ 197.11587142 146.2
[M]- 197.11696858 146.2
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.