CID 5272367

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-[(4-fluorophenyl)methyl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C25H27FN4O2S
SMILES
C1CCC(CC1)C(=O)N(CC2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H27FN4O2S/c26-20-10-6-17(7-11-20)14-30(24(32)19-4-2-1-3-5-19)15-23(31)28-21-12-8-18(9-13-21)22-16-33-25(27)29-22/h6-13,16,19H,1-5,14-15H2,(H2,27,29)(H,28,31)
InChIKey
QAZHIOJXHUWSBR-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.18387 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.19115 208.7
[M+Na]+ 489.17309 210.2
[M-H]- 465.17659 218.2
[M+NH4]+ 484.21769 216.1
[M+K]+ 505.14703 204.6
[M+H-H2O]+ 449.18113 197.1
[M+HCOO]- 511.18207 222.9
[M+CH3COO]- 525.19772 215.0
[M+Na-2H]- 487.15854 204.6
[M]+ 466.18332 204.6
[M]- 466.18442 204.6
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.