CID 5272386

4-pyridinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[2-(2-methylphenyl)ethyl]-

Structural Information

Molecular Formula
C26H25N5O2S
SMILES
CC1=CC=CC=C1CCN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C26H25N5O2S/c1-18-4-2-3-5-19(18)12-15-31(25(33)21-10-13-28-14-11-21)16-24(32)29-22-8-6-20(7-9-22)23-17-34-26(27)30-23/h2-11,13-14,17H,12,15-16H2,1H3,(H2,27,30)(H,29,32)
InChIKey
GYNBUBDENBHZJG-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]pyridine-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 212.2
[M+Na]+ 494.16210 216.2
[M-H]- 470.16560 223.1
[M+NH4]+ 489.20670 218.3
[M+K]+ 510.13604 210.0
[M+H-H2O]+ 454.17014 200.6
[M+HCOO]- 516.17108 230.0
[M+CH3COO]- 530.18673 219.5
[M+Na-2H]- 492.14755 211.1
[M]+ 471.17233 213.8
[M]- 471.17343 213.8
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.