CID 2742952

Maybridge4_004327

Structural Information

Molecular Formula
C19H12F3N3O2
SMILES
C1=CC(=CC=C1C=CC(=O)NC2=CC3=C(C=C2)NC=C3C#N)OC(F)(F)F
InChI
InChI=1S/C19H12F3N3O2/c20-19(21,22)27-15-5-1-12(2-6-15)3-8-18(26)25-14-4-7-17-16(9-14)13(10-23)11-24-17/h1-9,11,24H,(H,25,26)
InChIKey
URAFMJIWZCHAGC-UHFFFAOYSA-N
Compound name
N-(3-cyano-1H-indol-5-yl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

371.08817 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.095446 188.8
[M+Na]+ 394.077388 199.3
[M-H]- 370.080894 188.5
[M+NH4]+ 389.121993 199.5
[M+K]+ 410.051328 190.3
[M+H-H2O]+ 354.085430 171.5
[M+HCOO]- 416.086371 202.9
[M+CH3COO]- 430.102021 222.6
[M+Na-2H]- 392.062836 190.1
[M]+ 371.08762142 180.9
[M]- 371.08871858 180.9
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.