CID 5272421

4-pyridineacetamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[(1r)-1-phenylethyl]-

Structural Information

Molecular Formula
C26H25N5O2S
SMILES
C[C@H](C1=CC=CC=C1)N(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)CC4=CC=NC=C4
InChI
InChI=1S/C26H25N5O2S/c1-18(20-5-3-2-4-6-20)31(25(33)15-19-11-13-28-14-12-19)16-24(32)29-22-9-7-21(8-10-22)23-17-34-26(27)30-23/h2-14,17-18H,15-16H2,1H3,(H2,27,30)(H,29,32)/t18-/m1/s1
InChIKey
CGKPMQGQGZNKOI-GOSISDBHSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1R)-1-phenylethyl]-2-pyridin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18016 211.1
[M+Na]+ 494.16210 213.8
[M-H]- 470.16560 221.7
[M+NH4]+ 489.20670 216.8
[M+K]+ 510.13604 208.3
[M+H-H2O]+ 454.17014 199.5
[M+HCOO]- 516.17108 227.9
[M+CH3COO]- 530.18673 218.0
[M+Na-2H]- 492.14755 209.9
[M]+ 471.17233 211.8
[M]- 471.17343 211.8
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.