CID 384625

Nsc674639

Structural Information

Molecular Formula
C18H15F3N2O
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCNC(=O)C(F)(F)F
InChI
InChI=1S/C18H15F3N2O/c19-18(20,21)17(24)22-11-10-14-13-8-4-5-9-15(13)23-16(14)12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H,22,24)
InChIKey
BLLKGULIOVANKE-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.11365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12093 174.0
[M+Na]+ 355.10287 182.3
[M-H]- 331.10637 175.5
[M+NH4]+ 350.14747 188.2
[M+K]+ 371.07681 175.2
[M+H-H2O]+ 315.11091 163.6
[M+HCOO]- 377.11185 191.8
[M+CH3COO]- 391.12750 207.8
[M+Na-2H]- 353.08832 177.8
[M]+ 332.11310 170.5
[M]- 332.11420 170.5
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.