CID 5272451

4-pyridinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-2,6-dimethyl-n-(phenylmethyl)-

Structural Information

Molecular Formula
C26H25N5O2S
SMILES
CC1=CC(=CC(=N1)C)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C26H25N5O2S/c1-17-12-21(13-18(2)28-17)25(33)31(14-19-6-4-3-5-7-19)15-24(32)29-22-10-8-20(9-11-22)23-16-34-26(27)30-23/h3-13,16H,14-15H2,1-2H3,(H2,27,30)(H,29,32)
InChIKey
YMTZCRGLFPEEJG-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-2,6-dimethylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.18016 213.4
[M+Na]+ 494.16210 218.3
[M-H]- 470.16560 224.8
[M+NH4]+ 489.20670 219.9
[M+K]+ 510.13604 212.1
[M+H-H2O]+ 454.17014 202.0
[M+HCOO]- 516.17108 231.2
[M+CH3COO]- 530.18673 221.0
[M+Na-2H]- 492.14755 211.5
[M]+ 471.17233 215.5
[M]- 471.17343 215.5
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.