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 196.0
[M+Na]+ 437.10540 201.5
[M-H]- 413.10890 204.2
[M+NH4]+ 432.15000 206.0
[M+K]+ 453.07934 197.7
[M+H-H2O]+ 397.11344 185.7
[M+HCOO]- 459.11438 213.1
[M+CH3COO]- 473.13003 234.0
[M+Na-2H]- 435.09085 191.7
[M]+ 414.11563 197.2
[M]- 414.11673 197.2
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