CID 51174

Flutroline

Structural Information

Molecular Formula
C27H25F3N2O
SMILES
C1CN(CC2=C1N(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F)CCCC(C5=CC=C(C=C5)F)O
InChI
InChI=1S/C27H25F3N2O/c28-19-5-3-18(4-6-19)27(33)2-1-14-31-15-13-26-24(17-31)23-16-21(30)9-12-25(23)32(26)22-10-7-20(29)8-11-22/h3-12,16,27,33H,1-2,13-15,17H2
InChIKey
OYGDOCFZQVGFIP-UHFFFAOYSA-N
Compound name
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

575
Patents

450.1919 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.199176 211.2
[M+Na]+ 473.181118 219.4
[M-H]- 449.184624 214.7
[M+NH4]+ 468.225723 220.2
[M+K]+ 489.155058 209.3
[M+H-H2O]+ 433.189160 197.2
[M+HCOO]- 495.190101 222.5
[M+CH3COO]- 509.205751 217.9
[M+Na-2H]- 471.166566 208.2
[M]+ 450.19135142 208.0
[M]- 450.19244858 208.0
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

No patent data available for this compound.