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

literature stripe

Patent stripe

patents stripe