CID 5272428

4-pyridinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-[(2-chlorophenyl)methyl]-

Structural Information

Molecular Formula
C24H20ClN5O2S
SMILES
C1=CC=C(C(=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=NC=C4)Cl
InChI
InChI=1S/C24H20ClN5O2S/c25-20-4-2-1-3-18(20)13-30(23(32)17-9-11-27-12-10-17)14-22(31)28-19-7-5-16(6-8-19)21-15-33-24(26)29-21/h1-12,15H,13-14H2,(H2,26,29)(H,28,31)
InChIKey
MAFHQMHYOWTOTD-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.10263 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.10991 210.4
[M+Na]+ 500.09185 216.0
[M-H]- 476.09535 221.6
[M+NH4]+ 495.13645 217.3
[M+K]+ 516.06579 209.0
[M+H-H2O]+ 460.09989 199.7
[M+HCOO]- 522.10083 224.4
[M+CH3COO]- 536.11648 218.2
[M+Na-2H]- 498.07730 209.8
[M]+ 477.10208 214.0
[M]- 477.10318 214.0
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.