CID 5272360

Cyclohexaneacetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(cyclohexylmethyl)-

Structural Information

Molecular Formula
C26H36N4O2S
SMILES
C1CCC(CC1)CC(=O)N(CC2CCCCC2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C26H36N4O2S/c27-26-29-23(18-33-26)21-11-13-22(14-12-21)28-24(31)17-30(16-20-9-5-2-6-10-20)25(32)15-19-7-3-1-4-8-19/h11-14,18-20H,1-10,15-17H2,(H2,27,29)(H,28,31)
InChIKey
STWCRWBIEZFCCJ-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-2-cyclohexyl-N-(cyclohexylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2559 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.26318 210.3
[M+Na]+ 491.24512 207.5
[M-H]- 467.24862 219.3
[M+NH4]+ 486.28972 217.2
[M+K]+ 507.21906 202.8
[M+H-H2O]+ 451.25316 199.5
[M+HCOO]- 513.25410 221.0
[M+CH3COO]- 527.26975 240.7
[M+Na-2H]- 489.23057 204.4
[M]+ 468.25535 203.0
[M]- 468.25645 203.0
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.