CID 3154410

6,8-difluoro-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3h-cyclopenta[c]quinoline

Structural Information

Molecular Formula
C17H14F2N2
SMILES
C1C=CC2C1C(NC3=C2C=C(C=C3F)F)C4=CN=CC=C4
InChI
InChI=1S/C17H14F2N2/c18-11-7-14-12-4-1-5-13(12)16(10-3-2-6-20-9-10)21-17(14)15(19)8-11/h1-4,6-9,12-13,16,21H,5H2
InChIKey
NJZHEQOUHLZCOX-UHFFFAOYSA-N
Compound name
6,8-difluoro-4-pyridin-3-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

284.11252 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11980 164.0
[M+Na]+ 307.10174 173.5
[M-H]- 283.10524 166.0
[M+NH4]+ 302.14634 180.4
[M+K]+ 323.07568 165.5
[M+H-H2O]+ 267.10978 153.5
[M+HCOO]- 329.11072 178.5
[M+CH3COO]- 343.12637 174.3
[M+Na-2H]- 305.08719 166.7
[M]+ 284.11197 158.3
[M]- 284.11307 158.3
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.