CID 5272363

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

Structural Information

Molecular Formula
C24H27N5O2S
SMILES
C1CCC(C1)C(=O)N(CCC2=CC=CC=N2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C24H27N5O2S/c25-24-28-21(16-32-24)17-8-10-20(11-9-17)27-22(30)15-29(23(31)18-5-1-2-6-18)14-12-19-7-3-4-13-26-19/h3-4,7-11,13,16,18H,1-2,5-6,12,14-15H2,(H2,25,28)(H,27,30)
InChIKey
NANWXDJRPDXHFW-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19582 204.6
[M+Na]+ 472.17776 206.7
[M-H]- 448.18126 215.5
[M+NH4]+ 467.22236 213.5
[M+K]+ 488.15170 202.2
[M+H-H2O]+ 432.18580 194.3
[M+HCOO]- 494.18674 221.6
[M+CH3COO]- 508.20239 212.0
[M+Na-2H]- 470.16321 200.8
[M]+ 449.18799 203.9
[M]- 449.18909 203.9
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.