CID 21071390

Idalopirdine

Structural Information

Molecular Formula
C20H19F5N2O
SMILES
C1=CC(=CC(=C1)OCC(C(F)F)(F)F)CNCCC2=CNC3=C2C=CC(=C3)F
InChI
InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
InChIKey
YBAWYTYNMZWMMJ-UHFFFAOYSA-N
Compound name
2-(6-fluoro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

42
References

1150
Patents

398.14175 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14903 189.3
[M+Na]+ 421.13097 197.3
[M-H]- 397.13447 187.9
[M+NH4]+ 416.17557 200.8
[M+K]+ 437.10491 189.4
[M+H-H2O]+ 381.13901 176.6
[M+HCOO]- 443.13995 203.9
[M+CH3COO]- 457.15560 222.3
[M+Na-2H]- 419.11642 190.1
[M]+ 398.14120 185.4
[M]- 398.14230 185.4
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