CID 3044003

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

Structural Information

Molecular Formula
C16H20N2
SMILES
CCCC1=C2CCNCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C16H20N2/c1-2-5-12-13-6-3-4-7-15(13)18-16-9-11-17-10-8-14(12)16/h3-4,6-7,17H,2,5,8-11H2,1H3
InChIKey
RYPMRTGPYZVLID-UHFFFAOYSA-N
Compound name
11-propyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 155.0
[M+Na]+ 263.151858 160.9
[M-H]- 239.155364 157.0
[M+NH4]+ 258.196463 170.5
[M+K]+ 279.125798 158.8
[M+H-H2O]+ 223.159900 147.7
[M+HCOO]- 285.160841 169.8
[M+CH3COO]- 299.176491 165.0
[M+Na-2H]- 261.137306 161.5
[M]+ 240.16209142 149.2
[M]- 240.16318858 149.2
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