CID 5272491

N-benzyl-n-[2-oxo-2-(4-thiazol-4-ylanilino)ethyl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C25H27N3O2S
SMILES
C1CCC(CC1)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC=N4
InChI
InChI=1S/C25H27N3O2S/c29-24(27-22-13-11-20(12-14-22)23-17-31-18-26-23)16-28(15-19-7-3-1-4-8-19)25(30)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16H2,(H,27,29)
InChIKey
TUYSUWYQDTYHBS-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-oxo-2-[4-(1,3-thiazol-4-yl)anilino]ethyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1824 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18968 203.2
[M+Na]+ 456.17162 204.0
[M-H]- 432.17512 214.1
[M+NH4]+ 451.21622 212.1
[M+K]+ 472.14556 199.0
[M+H-H2O]+ 416.17966 192.4
[M+HCOO]- 478.18060 218.2
[M+CH3COO]- 492.19625 210.3
[M+Na-2H]- 454.15707 200.8
[M]+ 433.18185 200.7
[M]- 433.18295 200.7
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.