CID 5272490

N-benzyl-n-[2-[4-(2-methylthiazol-4-yl)anilino]-2-oxo-ethyl]cyclohexanecarboxamide

Structural Information

Molecular Formula
C26H29N3O2S
SMILES
CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4CCCCC4
InChI
InChI=1S/C26H29N3O2S/c1-19-27-24(18-32-19)21-12-14-23(15-13-21)28-25(30)17-29(16-20-8-4-2-5-9-20)26(31)22-10-6-3-7-11-22/h2,4-5,8-9,12-15,18,22H,3,6-7,10-11,16-17H2,1H3,(H,28,30)
InChIKey
HWYWWXHRITXPDZ-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.19806 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.20534 208.1
[M+Na]+ 470.18728 209.3
[M-H]- 446.19078 219.2
[M+NH4]+ 465.23188 216.7
[M+K]+ 486.16122 204.1
[M+H-H2O]+ 430.19532 197.3
[M+HCOO]- 492.19626 222.7
[M+CH3COO]- 506.21191 215.0
[M+Na-2H]- 468.17273 204.5
[M]+ 447.19751 206.3
[M]- 447.19861 206.3
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.