CID 5272322

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-cyclopentanecarboxamide

Structural Information

Molecular Formula
C24H26N4O2S
SMILES
C1CCC(C1)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C24H26N4O2S/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/h1-3,6-7,10-13,16,19H,4-5,8-9,14-15H2,(H2,25,27)(H,26,29)
InChIKey
TYUOMPGEHUQVNU-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylcyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.17764 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18492 202.8
[M+Na]+ 457.16686 204.9
[M-H]- 433.17036 214.8
[M+NH4]+ 452.21146 213.5
[M+K]+ 473.14080 200.5
[M+H-H2O]+ 417.17490 193.1
[M+HCOO]- 479.17584 220.9
[M+CH3COO]- 493.19149 210.8
[M+Na-2H]- 455.15231 198.6
[M]+ 434.17709 201.5
[M]- 434.17819 201.5
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.