CID 5272505

N-[2-[4-(2-acetamidothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-pyridine-4-carboxamide

Structural Information

Molecular Formula
C26H23N5O3S
SMILES
CC(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C26H23N5O3S/c1-18(32)28-26-30-23(17-35-26)20-7-9-22(10-8-20)29-24(33)16-31(15-19-5-3-2-4-6-19)25(34)21-11-13-27-14-12-21/h2-14,17H,15-16H2,1H3,(H,29,33)(H,28,30,32)
InChIKey
YVAXALLMEOOSAD-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-acetamido-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.15216 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.15944 213.8
[M+Na]+ 508.14138 216.5
[M-H]- 484.14488 225.0
[M+NH4]+ 503.18598 219.0
[M+K]+ 524.11532 211.5
[M+H-H2O]+ 468.14942 202.1
[M+HCOO]- 530.15036 231.6
[M+CH3COO]- 544.16601 243.1
[M+Na-2H]- 506.12683 213.7
[M]+ 485.15161 215.9
[M]- 485.15271 215.9
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.