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

2
Patents

240.16264 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 155.0
[M+Na]+ 263.15186 160.9
[M-H]- 239.15536 157.0
[M+NH4]+ 258.19646 170.5
[M+K]+ 279.12580 158.8
[M+H-H2O]+ 223.15990 147.7
[M+HCOO]- 285.16084 169.8
[M+CH3COO]- 299.17649 165.0
[M+Na-2H]- 261.13731 161.5
[M]+ 240.16209 149.2
[M]- 240.16319 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