CID 3044012

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

Structural Information

Molecular Formula
C14H16N2O
SMILES
CC1=C2CNCCC(C2=NC3=CC=CC=C13)O
InChI
InChI=1S/C14H16N2O/c1-9-10-4-2-3-5-12(10)16-14-11(9)8-15-7-6-13(14)17/h2-5,13,15,17H,6-8H2,1H3
InChIKey
JZKRFWPINSBSBN-UHFFFAOYSA-N
Compound name
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

228.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.133546 150.3
[M+Na]+ 251.115488 157.4
[M-H]- 227.118994 151.8
[M+NH4]+ 246.160093 165.9
[M+K]+ 267.089428 155.9
[M+H-H2O]+ 211.123530 143.7
[M+HCOO]- 273.124471 164.5
[M+CH3COO]- 287.140121 160.7
[M+Na-2H]- 249.100936 156.8
[M]+ 228.12572142 144.0
[M]- 228.12681858 144.0
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