CID 3044010

1h-azepino(4,5-b)quinoline, 2,3,4,5-tetrahydro-11-methyl-, 6-oxide, dihydrochloride

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC1=C2CCNCCC2=[N+](C3=CC=CC=C13)[O-]
InChI
InChI=1S/C14H16N2O/c1-10-11-4-2-3-5-13(11)16(17)14-7-9-15-8-6-12(10)14/h2-5,15H,6-9H2,1H3
InChIKey
DDJJGSKAZVIYDB-UHFFFAOYSA-N
Compound name
11-methyl-6-oxido-2,3,4,5-tetrahydro-1H-azepino[4,5-b]quinolin-6-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 151.6
[M+Na]+ 251.11549 158.1
[M-H]- 227.11899 153.1
[M+NH4]+ 246.16009 166.8
[M+K]+ 267.08943 152.3
[M+H-H2O]+ 211.12353 149.3
[M+HCOO]- 273.12447 166.3
[M+CH3COO]- 287.14012 182.5
[M+Na-2H]- 249.10094 159.8
[M]+ 228.12572 143.5
[M]- 228.12682 143.5
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.