CID 166792554

Bay 2965501

Structural Information

Molecular Formula
C20H19FN4O3S
SMILES
C[C@H](C(=O)N)N(C1=CC=C(C=C1)F)C2=NC(=C(S2)C(=O)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C20H19FN4O3S/c1-11(19(23)27)25(14-7-5-13(21)6-8-14)20-24-18(22)17(29-20)16(26)12-3-9-15(28-2)10-4-12/h3-11H,22H2,1-2H3,(H2,23,27)/t11-/m1/s1
InChIKey
HSBUVKDEUUJREZ-LLVKDONJSA-N
Compound name
(2R)-2-(N-[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

414.11618 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12346 193.7
[M+Na]+ 437.10540 201.9
[M+NH4]+ 432.15000 198.4
[M+K]+ 453.07934 198.2
[M-H]- 413.10890 197.4
[M+Na-2H]- 435.09085 199.6
[M]+ 414.11563 195.9
[M]- 414.11673 195.9
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

patents stripe