CID 489427

1-[5-fluoroindolyl-2-carbonyl]-4-[3-(2,2,2-trifluoroethylamino)-2-pyridinyl]piperazine

Structural Information

Molecular Formula
C20H19F4N5O
SMILES
C1CN(CCN1C2=C(C=CC=N2)NCC(F)(F)F)C(=O)C3=CC4=C(N3)C=CC(=C4)F
InChI
InChI=1S/C20H19F4N5O/c21-14-3-4-15-13(10-14)11-17(27-15)19(30)29-8-6-28(7-9-29)18-16(2-1-5-25-18)26-12-20(22,23)24/h1-5,10-11,26-27H,6-9,12H2
InChIKey
HTHCXVOEYSZGJI-UHFFFAOYSA-N
Compound name
(5-fluoro-1H-indol-2-yl)-[4-[3-(2,2,2-trifluoroethylamino)pyridin-2-yl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1526 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.15988 197.2
[M+Na]+ 444.14182 204.5
[M-H]- 420.14532 196.2
[M+NH4]+ 439.18642 203.2
[M+K]+ 460.11576 195.8
[M+H-H2O]+ 404.14986 182.5
[M+HCOO]- 466.15080 205.9
[M+CH3COO]- 480.16645 203.0
[M+Na-2H]- 442.12727 197.4
[M]+ 421.15205 189.0
[M]- 421.15315 189.0
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.