CID 3087507

8-acetylamino-4,4a-dihydro-5h-indeno(1,2-c)pyridazin-3-one

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC(=O)NC1=CC2=C(CC3C2=NNC(=O)C3)C=C1
InChI
InChI=1S/C13H13N3O2/c1-7(17)14-10-3-2-8-4-9-5-12(18)15-16-13(9)11(8)6-10/h2-3,6,9H,4-5H2,1H3,(H,14,17)(H,15,18)
InChIKey
HAXSUASAJZNUHK-UHFFFAOYSA-N
Compound name
N-(3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 153.2
[M+Na]+ 266.08999 161.2
[M-H]- 242.09349 154.7
[M+NH4]+ 261.13459 170.9
[M+K]+ 282.06393 156.5
[M+H-H2O]+ 226.09803 145.9
[M+HCOO]- 288.09897 170.6
[M+CH3COO]- 302.11462 164.4
[M+Na-2H]- 264.07544 157.7
[M]+ 243.10022 150.4
[M]- 243.10132 150.4
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.