CID 5272364

Cyclohexanecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(2,2-dimethylpropyl)-

Structural Information

Molecular Formula
C23H32N4O2S
SMILES
CC(C)(C)CN(CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N)C(=O)C3CCCCC3
InChI
InChI=1S/C23H32N4O2S/c1-23(2,3)15-27(21(29)17-7-5-4-6-8-17)13-20(28)25-18-11-9-16(10-12-18)19-14-30-22(24)26-19/h9-12,14,17H,4-8,13,15H2,1-3H3,(H2,24,26)(H,25,28)
InChIKey
SSPVOXYBZXDALX-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,2-dimethylpropyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2246 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23188 204.1
[M+Na]+ 451.21382 204.7
[M-H]- 427.21732 211.9
[M+NH4]+ 446.25842 213.8
[M+K]+ 467.18776 201.1
[M+H-H2O]+ 411.22186 194.7
[M+HCOO]- 473.22280 217.2
[M+CH3COO]- 487.23845 234.5
[M+Na-2H]- 449.19927 200.8
[M]+ 428.22405 201.8
[M]- 428.22515 201.8
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.