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

1
Patents

240.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 154.8
[M+Na]+ 263.151858 161.9
[M-H]- 239.155364 158.4
[M+NH4]+ 258.196463 171.3
[M+K]+ 279.125798 160.7
[M+H-H2O]+ 223.159900 147.3
[M+HCOO]- 285.160841 170.9
[M+CH3COO]- 299.176491 165.7
[M+Na-2H]- 261.137306 161.0
[M]+ 240.16209142 151.0
[M]- 240.16318858 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