CID 3087508

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

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC(=O)NC1=CC=CC2=C1C3=NNC(=O)CC3C2
InChI
InChI=1S/C13H13N3O2/c1-7(17)14-10-4-2-3-8-5-9-6-11(18)15-16-13(9)12(8)10/h2-4,9H,5-6H2,1H3,(H,14,17)(H,15,18)
InChIKey
AJMXEJBCWOZEJY-UHFFFAOYSA-N
Compound name
N-(3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-9-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]+ 244.108046 153.2
[M+Na]+ 266.089988 161.2
[M-H]- 242.093494 154.7
[M+NH4]+ 261.134593 170.9
[M+K]+ 282.063928 156.5
[M+H-H2O]+ 226.098030 145.9
[M+HCOO]- 288.098971 170.6
[M+CH3COO]- 302.114621 164.4
[M+Na-2H]- 264.075436 157.7
[M]+ 243.10022142 150.4
[M]- 243.10131858 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.