CID 5272347

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

Structural Information

Molecular Formula
C24H32N4O2S
SMILES
C1CCC(CC1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4CCCC4
InChI
InChI=1S/C24H32N4O2S/c25-24-27-21(16-31-24)18-10-12-20(13-11-18)26-22(29)15-28(14-17-6-2-1-3-7-17)23(30)19-8-4-5-9-19/h10-13,16-17,19H,1-9,14-15H2,(H2,25,27)(H,26,29)
InChIKey
SVJLLWBPBWYPLI-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(cyclohexylmethyl)cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.2246 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23188 204.2
[M+Na]+ 463.21382 203.3
[M-H]- 439.21732 214.8
[M+NH4]+ 458.25842 214.5
[M+K]+ 479.18776 199.5
[M+H-H2O]+ 423.22186 194.7
[M+HCOO]- 485.22280 218.0
[M+CH3COO]- 499.23845 234.3
[M+Na-2H]- 461.19927 197.5
[M]+ 440.22405 198.8
[M]- 440.22515 198.8
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.