CID 3044005

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

Structural Information

Molecular Formula
C16H20N2
SMILES
CCN1CCC2=C(C3=CC=CC=C3N=C2CC1)C
InChI
InChI=1S/C16H20N2/c1-3-18-10-8-14-12(2)13-6-4-5-7-15(13)17-16(14)9-11-18/h4-7H,3,8-11H2,1-2H3
InChIKey
FVDNJNRVKJQJLY-UHFFFAOYSA-N
Compound name
3-ethyl-11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 154.8
[M+Na]+ 263.15186 161.9
[M-H]- 239.15536 158.4
[M+NH4]+ 258.19646 171.3
[M+K]+ 279.12580 160.7
[M+H-H2O]+ 223.15990 147.3
[M+HCOO]- 285.16084 170.9
[M+CH3COO]- 299.17649 165.7
[M+Na-2H]- 261.13731 161.0
[M]+ 240.16209 151.0
[M]- 240.16319 151.0
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

patents stripe