CID 24986824

Aslan003

Structural Information

Molecular Formula
C19H14F2N2O3
SMILES
COC1=CC=CC(=C1)C2=CC(=C(C(=C2)F)NC3=C(C=CC=N3)C(=O)O)F
InChI
InChI=1S/C19H14F2N2O3/c1-26-13-5-2-4-11(8-13)12-9-15(20)17(16(21)10-12)23-18-14(19(24)25)6-3-7-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKey
OMPATGZMNFWVOH-UHFFFAOYSA-N
Compound name
2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

647
Patents

356.09726 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.10454 183.6
[M+Na]+ 379.08648 196.8
[M+NH4]+ 374.13108 188.7
[M+K]+ 395.06042 189.9
[M-H]- 355.08998 186.1
[M+Na-2H]- 377.07193 191.5
[M]+ 356.09671 186.0
[M]- 356.09781 186.0
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