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]+ 258.12370 157.8
[M+Na]+ 280.10564 165.4
[M-H]- 256.10914 160.5
[M+NH4]+ 275.15024 175.6
[M+K]+ 296.07958 161.9
[M+H-H2O]+ 240.11368 150.2
[M+HCOO]- 302.11462 175.4
[M+CH3COO]- 316.13027 199.4
[M+Na-2H]- 278.09109 161.0
[M]+ 257.11587 156.5
[M]- 257.11697 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.