CID 168664692

N-[2-[1-[5-(4-chlorophenyl)thiazol-2-yl]cyclobutyl]ethyl]-2-(1-methylsulfonylcyclopropyl)oxazole-5-carboxamide

Structural Information

Molecular Formula
C23H24ClN3O4S2
SMILES
CS(=O)(=O)C1(CC1)C2=NC=C(O2)C(=O)NCCC3(CCC3)C4=NC=C(S4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H24ClN3O4S2/c1-33(29,30)23(9-10-23)20-26-13-17(31-20)19(28)25-12-11-22(7-2-8-22)21-27-14-18(32-21)15-3-5-16(24)6-4-15/h3-6,13-14H,2,7-12H2,1H3,(H,25,28)
InChIKey
MZJZTNLSUNZCSA-UHFFFAOYSA-N
Compound name
N-[2-[1-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclobutyl]ethyl]-2-(1-methylsulfonylcyclopropyl)-1,3-oxazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.0897 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.09698 194.2
[M+Na]+ 528.07892 200.8
[M-H]- 504.08242 206.9
[M+NH4]+ 523.12352 194.8
[M+K]+ 544.05286 200.1
[M+H-H2O]+ 488.08696 184.6
[M+HCOO]- 550.08790 200.5
[M+CH3COO]- 564.10355 202.4
[M+Na-2H]- 526.06437 195.1
[M]+ 505.08915 212.5
[M]- 505.09025 212.5
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.