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 149.9
[M+Na]+ 251.11549 161.8
[M+NH4]+ 246.16009 157.9
[M+K]+ 267.08943 156.1
[M-H]- 227.11899 151.7
[M+Na-2H]- 249.10094 155.1
[M]+ 228.12572 152.1
[M]- 228.12682 152.1
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