CID 5272450

4-pyridinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-3-methyl-n-(phenylmethyl)-

Structural Information

Molecular Formula
C25H23N5O2S
SMILES
CC1=C(C=CN=C1)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C25H23N5O2S/c1-17-13-27-12-11-21(17)24(32)30(14-18-5-3-2-4-6-18)15-23(31)28-20-9-7-19(8-10-20)22-16-33-25(26)29-22/h2-13,16H,14-15H2,1H3,(H2,26,29)(H,28,31)
InChIKey
CWZNCFDXTTYYLM-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-3-methylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.15726 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.16454 208.1
[M+Na]+ 480.14648 212.7
[M-H]- 456.14998 219.3
[M+NH4]+ 475.19108 214.9
[M+K]+ 496.12042 206.6
[M+H-H2O]+ 440.15452 196.8
[M+HCOO]- 502.15546 226.3
[M+CH3COO]- 516.17111 215.9
[M+Na-2H]- 478.13193 207.5
[M]+ 457.15671 209.5
[M]- 457.15781 209.5
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.