CID 5272365

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

Structural Information

Molecular Formula
C23H32N4O2S
SMILES
CC(C)CCN(CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N)C(=O)C3CCCCC3
InChI
InChI=1S/C23H32N4O2S/c1-16(2)12-13-27(22(29)18-6-4-3-5-7-18)14-21(28)25-19-10-8-17(9-11-19)20-15-30-23(24)26-20/h8-11,15-16,18H,3-7,12-14H2,1-2H3,(H2,24,26)(H,25,28)
InChIKey
DYHUCHFXMAIOIH-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(3-methylbutyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2246 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23188 204.3
[M+Na]+ 451.21382 204.1
[M-H]- 427.21732 211.8
[M+NH4]+ 446.25842 213.6
[M+K]+ 467.18776 200.4
[M+H-H2O]+ 411.22186 194.3
[M+HCOO]- 473.22280 217.8
[M+CH3COO]- 487.23845 235.7
[M+Na-2H]- 449.19927 198.7
[M]+ 428.22405 202.0
[M]- 428.22515 202.0
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.