CID 3087512

N-methyl-n-(3,4,4a,5-tetrahydro-3-oxo-2h-indeno(1,2-c)pyridazin-7-yl)propanamide

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CCC(=O)N(C)C1=CC2=C(C=C1)C3=NNC(=O)CC3C2
InChI
InChI=1S/C15H17N3O2/c1-3-14(20)18(2)11-4-5-12-9(7-11)6-10-8-13(19)16-17-15(10)12/h4-5,7,10H,3,6,8H2,1-2H3,(H,16,19)
InChIKey
UFGXKYKYURMXFA-UHFFFAOYSA-N
Compound name
N-methyl-N-(3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-7-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 162.4
[M+Na]+ 294.121298 169.6
[M-H]- 270.124804 165.0
[M+NH4]+ 289.165903 179.6
[M+K]+ 310.095238 165.8
[M+H-H2O]+ 254.129340 154.6
[M+HCOO]- 316.130281 179.6
[M+CH3COO]- 330.145931 202.4
[M+Na-2H]- 292.106746 165.1
[M]+ 271.13153142 161.5
[M]- 271.13262858 161.5
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.