CID 5272457

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

Structural Information

Molecular Formula
C24H22N6O2S
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)NC(=O)CN(CCC3=CC=NC=C3)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C24H22N6O2S/c25-24-29-21(16-33-24)18-1-3-20(4-2-18)28-22(31)15-30(14-9-17-5-10-26-11-6-17)23(32)19-7-12-27-13-8-19/h1-8,10-13,16H,9,14-15H2,(H2,25,29)(H,28,31)
InChIKey
RTGRYSKRELODRP-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1525 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.15978 204.8
[M+Na]+ 481.14172 209.0
[M-H]- 457.14522 214.6
[M+NH4]+ 476.18632 210.0
[M+K]+ 497.11566 202.8
[M+H-H2O]+ 441.14976 192.9
[M+HCOO]- 503.15070 222.2
[M+CH3COO]- 517.16635 212.1
[M+Na-2H]- 479.12717 205.9
[M]+ 458.15195 205.9
[M]- 458.15305 205.9
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.