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]+ 272.13936 162.4
[M+Na]+ 294.12130 169.6
[M-H]- 270.12480 165.0
[M+NH4]+ 289.16590 179.6
[M+K]+ 310.09524 165.8
[M+H-H2O]+ 254.12934 154.6
[M+HCOO]- 316.13028 179.6
[M+CH3COO]- 330.14593 202.4
[M+Na-2H]- 292.10675 165.1
[M]+ 271.13153 161.5
[M]- 271.13263 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.