CID 22009

Mas 805

Structural Information

Molecular Formula
C14H15ClN2
SMILES
C1CCC2=C(CC1)N=C3C(=C2N)C=CC=C3Cl
InChI
InChI=1S/C14H15ClN2/c15-11-7-4-6-10-13(16)9-5-2-1-3-8-12(9)17-14(10)11/h4,6-7H,1-3,5,8H2,(H2,16,17)
InChIKey
KUXRCNIQUKGCGU-UHFFFAOYSA-N
Compound name
4-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09238 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09966 152.2
[M+Na]+ 269.08160 160.9
[M-H]- 245.08510 156.7
[M+NH4]+ 264.12620 170.3
[M+K]+ 285.05554 158.8
[M+H-H2O]+ 229.08964 146.3
[M+HCOO]- 291.09058 166.5
[M+CH3COO]- 305.10623 163.8
[M+Na-2H]- 267.06705 158.7
[M]+ 246.09183 147.9
[M]- 246.09293 147.9
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

No patent data available for this compound.