CID 58594

Acetamide, n-methyl-n-(2,3,6,7-tetrahydro-1h,5h-benzo(ij)quinolizin-9-yl)-

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC(=O)N(C)C1=CCC2=C3N1CCCC3=CCC2
InChI
InChI=1S/C15H20N2O/c1-11(18)16(2)14-9-8-13-6-3-5-12-7-4-10-17(14)15(12)13/h5,9H,3-4,6-8,10H2,1-2H3
InChIKey
HFHXPTGUOVCGGM-UHFFFAOYSA-N
Compound name
N-(1-azatricyclo[7.3.1.05,13]trideca-2,5(13),8-trien-2-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 156.4
[M+Na]+ 267.14678 160.8
[M-H]- 243.15028 159.7
[M+NH4]+ 262.19138 174.9
[M+K]+ 283.12072 158.5
[M+H-H2O]+ 227.15482 148.3
[M+HCOO]- 289.15576 172.4
[M+CH3COO]- 303.17141 201.7
[M+Na-2H]- 265.13223 161.2
[M]+ 244.15701 153.7
[M]- 244.15811 153.7
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.