CID 3044001

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

Structural Information

Molecular Formula
C14H16N2
SMILES
CC1=C2CNCCCC2=NC3=CC=CC=C13
InChI
InChI=1S/C14H16N2/c1-10-11-5-2-3-6-13(11)16-14-7-4-8-15-9-12(10)14/h2-3,5-6,15H,4,7-9H2,1H3
InChIKey
XYVNDHODYMIWAP-UHFFFAOYSA-N
Compound name
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 146.2
[M+Na]+ 235.120568 152.9
[M-H]- 211.124074 148.5
[M+NH4]+ 230.165173 162.8
[M+K]+ 251.094508 151.3
[M+H-H2O]+ 195.128610 139.3
[M+HCOO]- 257.129551 161.6
[M+CH3COO]- 271.145201 157.0
[M+Na-2H]- 233.106016 153.8
[M]+ 212.13080142 139.8
[M]- 212.13189858 139.8
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