CID 165386441

Mek-in-6

Structural Information

Molecular Formula
C18H20FN3O4S
SMILES
CN1C(=O)C=C2CCN(C(=O)C2=C1NC3=C(C=C(C=C3)SC)F)OCCO
InChI
InChI=1S/C18H20FN3O4S/c1-21-15(24)9-11-5-6-22(26-8-7-23)18(25)16(11)17(21)20-14-4-3-12(27-2)10-13(14)19/h3-4,9-10,20,23H,5-8H2,1-2H3
InChIKey
TURWFFGYNJNSFK-UHFFFAOYSA-N
Compound name
8-(2-fluoro-4-methylsulfanylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

393.11584 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12312 189.1
[M+Na]+ 416.10506 198.0
[M-H]- 392.10856 191.6
[M+NH4]+ 411.14966 198.8
[M+K]+ 432.07900 191.8
[M+H-H2O]+ 376.11310 179.2
[M+HCOO]- 438.11404 200.6
[M+CH3COO]- 452.12969 222.2
[M+Na-2H]- 414.09051 189.0
[M]+ 393.11529 192.3
[M]- 393.11639 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.