CID 355887

2h-quinolizine, octahydro-1-(5-fluoro-1h-indol-3-yl)-

Structural Information

Molecular Formula
C17H21FN2
SMILES
C1CCN2CCCC(C2C1)C3=CNC4=C3C=C(C=C4)F
InChI
InChI=1S/C17H21FN2/c18-12-6-7-16-14(10-12)15(11-19-16)13-4-3-9-20-8-2-1-5-17(13)20/h6-7,10-11,13,17,19H,1-5,8-9H2
InChIKey
NRPDQADCTMJYKS-UHFFFAOYSA-N
Compound name
1-(5-fluoro-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.16888 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17616 163.5
[M+Na]+ 295.15810 169.8
[M-H]- 271.16160 165.6
[M+NH4]+ 290.20270 179.9
[M+K]+ 311.13204 162.7
[M+H-H2O]+ 255.16614 153.5
[M+HCOO]- 317.16708 176.1
[M+CH3COO]- 331.18273 172.8
[M+Na-2H]- 293.14355 165.3
[M]+ 272.16833 155.3
[M]- 272.16943 155.3
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.