CID 3087096

6h-cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-2,4-dichloro-11-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C18H20Cl2N2
SMILES
C1CCC2=C(C3=C(C(=CC(=C3)Cl)Cl)N=C2CC1)N4CCCC4
InChI
InChI=1S/C18H20Cl2N2/c19-12-10-14-17(15(20)11-12)21-16-7-3-1-2-6-13(16)18(14)22-8-4-5-9-22/h10-11H,1-9H2
InChIKey
HBIWTAGABRMUOU-UHFFFAOYSA-N
Compound name
2,4-dichloro-11-pyrrolidin-1-yl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10034 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10762 177.9
[M+Na]+ 357.08956 186.9
[M-H]- 333.09306 182.7
[M+NH4]+ 352.13416 193.5
[M+K]+ 373.06350 182.0
[M+H-H2O]+ 317.09760 168.6
[M+HCOO]- 379.09854 183.5
[M+CH3COO]- 393.11419 187.1
[M+Na-2H]- 355.07501 178.1
[M]+ 334.09979 173.7
[M]- 334.10089 173.7
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.