CID 443390

181629-93-6

Structural Information

Molecular Formula
C22H17F4N3O2
SMILES
COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC(=CC(=C3)C4=CN=CC=C4)F)C(F)(F)F
InChI
InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
InChIKey
RRJLJKRFFRZRAF-UHFFFAOYSA-N
Compound name
N-(3-fluoro-5-pyridin-3-ylphenyl)-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

31
Patents

431.1257 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13298 200.8
[M+Na]+ 454.11492 209.5
[M-H]- 430.11842 204.3
[M+NH4]+ 449.15952 210.1
[M+K]+ 470.08886 202.3
[M+H-H2O]+ 414.12296 187.1
[M+HCOO]- 476.12390 214.6
[M+CH3COO]- 490.13955 229.1
[M+Na-2H]- 452.10037 200.5
[M]+ 431.12515 197.0
[M]- 431.12625 197.0
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