CID 53541890

Phenyl(pyridin-4-yl)methyl 4-methyl-2-(pyrimidin-2-yl)-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C21H16N4O2S
SMILES
CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4
InChI
InChI=1S/C21H16N4O2S/c1-14-18(28-20(25-14)19-23-10-5-11-24-19)21(26)27-17(15-6-3-2-4-7-15)16-8-12-22-13-9-16/h2-13,17H,1H3
InChIKey
YAUFISAXTWWIMP-UHFFFAOYSA-N
Compound name
[phenyl(pyridin-4-yl)methyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0994 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10668 186.8
[M+Na]+ 411.08862 203.0
[M+NH4]+ 406.13322 193.7
[M+K]+ 427.06256 195.3
[M-H]- 387.09212 192.9
[M+Na-2H]- 409.07407 198.7
[M]+ 388.09885 191.4
[M]- 388.09995 191.4
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.