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

2
Patents

228.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 150.3
[M+Na]+ 251.11549 157.4
[M-H]- 227.11899 151.8
[M+NH4]+ 246.16009 165.9
[M+K]+ 267.08943 155.9
[M+H-H2O]+ 211.12353 143.7
[M+HCOO]- 273.12447 164.5
[M+CH3COO]- 287.14012 160.7
[M+Na-2H]- 249.10094 156.8
[M]+ 228.12572 144.0
[M]- 228.12682 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