CID 9868037

Osi-930

Structural Information

Molecular Formula
C22H16F3N3O2S
SMILES
C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
InChIKey
FGTCROZDHDSNIO-UHFFFAOYSA-N
Compound name
3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

31
References

3051
Patents

443.09152 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.098796 198.4
[M+Na]+ 466.080738 206.8
[M-H]- 442.084244 204.3
[M+NH4]+ 461.125343 208.7
[M+K]+ 482.054678 199.4
[M+H-H2O]+ 426.088780 186.6
[M+HCOO]- 488.089721 214.0
[M+CH3COO]- 502.105371 207.0
[M+Na-2H]- 464.066186 201.5
[M]+ 443.09097142 199.4
[M]- 443.09206858 199.4
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