CID 3044007

1h-azepino(4,5-b)quinoline, 2,3,4,5-tetrahydro-9-chloro-11-methyl-, dihydrochloride

Structural Information

Molecular Formula
C14H15ClN2
SMILES
CC1=C2C=C(C=CC2=NC3=C1CCNCC3)Cl
InChI
InChI=1S/C14H15ClN2/c1-9-11-4-6-16-7-5-14(11)17-13-3-2-10(15)8-12(9)13/h2-3,8,16H,4-7H2,1H3
InChIKey
FUWYATGQKALABQ-UHFFFAOYSA-N
Compound name
9-chloro-11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.09238 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.099656 152.2
[M+Na]+ 269.081598 161.2
[M-H]- 245.085104 154.4
[M+NH4]+ 264.126203 168.7
[M+K]+ 285.055538 158.3
[M+H-H2O]+ 229.089640 145.2
[M+HCOO]- 291.090581 163.3
[M+CH3COO]- 305.106231 163.1
[M+Na-2H]- 267.067046 158.7
[M]+ 246.09183142 148.0
[M]- 246.09292858 148.0
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