CID 54682876

Tasquinimod

Structural Information

Molecular Formula
C20H17F3N2O4
SMILES
CN1C2=C(C(=CC=C2)OC)C(=C(C1=O)C(=O)N(C)C3=CC=C(C=C3)C(F)(F)F)O
InChI
InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3
InChIKey
ONDYALNGTUAJDX-UHFFFAOYSA-N
Compound name
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

60
References

3831
Patents

406.11404 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12132 192.8
[M+Na]+ 429.10326 203.0
[M+NH4]+ 424.14786 196.0
[M+K]+ 445.07720 198.4
[M-H]- 405.10676 191.1
[M+Na-2H]- 427.08871 196.3
[M]+ 406.11349 193.5
[M]- 406.11459 193.5
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

patents stripe