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

2
Patents

246.09238 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09966 152.2
[M+Na]+ 269.08160 161.2
[M-H]- 245.08510 154.4
[M+NH4]+ 264.12620 168.7
[M+K]+ 285.05554 158.3
[M+H-H2O]+ 229.08964 145.2
[M+HCOO]- 291.09058 163.3
[M+CH3COO]- 305.10623 163.1
[M+Na-2H]- 267.06705 158.7
[M]+ 246.09183 148.0
[M]- 246.09293 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