CID 5272359

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

Structural Information

Molecular Formula
C25H34N4O2S
SMILES
C1CCC(CC1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)CC4CCCC4
InChI
InChI=1S/C25H34N4O2S/c26-25-28-22(17-32-25)20-10-12-21(13-11-20)27-23(30)16-29(15-19-8-2-1-3-9-19)24(31)14-18-6-4-5-7-18/h10-13,17-19H,1-9,14-16H2,(H2,26,28)(H,27,30)
InChIKey
XGBIJWXFFYMZLU-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(cyclohexylmethyl)-2-cyclopentylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.24023 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.24751 208.1
[M+Na]+ 477.22945 206.8
[M-H]- 453.23295 218.5
[M+NH4]+ 472.27405 217.8
[M+K]+ 493.20339 202.8
[M+H-H2O]+ 437.23749 198.4
[M+HCOO]- 499.23843 221.7
[M+CH3COO]- 513.25408 237.2
[M+Na-2H]- 475.21490 201.0
[M]+ 454.23968 203.1
[M]- 454.24078 203.1
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.