CID 3087511

7-(n-acetyl,n-methylamino)-4,4a-dihydro-5h-indeno(1,2-c)pyridazin-3-one

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CC(=O)N(C)C1=CC2=C(C=C1)C3=NNC(=O)CC3C2
InChI
InChI=1S/C14H15N3O2/c1-8(18)17(2)11-3-4-12-9(6-11)5-10-7-13(19)15-16-14(10)12/h3-4,6,10H,5,7H2,1-2H3,(H,15,19)
InChIKey
IRTXNSALHRHJOS-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.123696 157.8
[M+Na]+ 280.105638 165.4
[M-H]- 256.109144 160.5
[M+NH4]+ 275.150243 175.6
[M+K]+ 296.079578 161.9
[M+H-H2O]+ 240.113680 150.2
[M+HCOO]- 302.114621 175.4
[M+CH3COO]- 316.130271 199.4
[M+Na-2H]- 278.091086 161.0
[M]+ 257.11587142 156.5
[M]- 257.11696858 156.5
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.