CID 72710774

5-fluoro-pb-22

Structural Information

Molecular Formula
C23H21FN2O2
SMILES
C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)OC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C23H21FN2O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21/h2-3,6-12,14,16H,1,4-5,13,15H2
InChIKey
MBOCMBFDYVSGLJ-UHFFFAOYSA-N
Compound name
quinolin-8-yl 1-(5-fluoropentyl)indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

33
Patents

376.1587 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16598 191.6
[M+Na]+ 399.14792 200.3
[M-H]- 375.15142 196.1
[M+NH4]+ 394.19252 204.4
[M+K]+ 415.12186 193.1
[M+H-H2O]+ 359.15596 180.2
[M+HCOO]- 421.15690 210.1
[M+CH3COO]- 435.17255 201.2
[M+Na-2H]- 397.13337 194.6
[M]+ 376.15815 195.7
[M]- 376.15925 195.7
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