CID 145722473

3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{n}-[3-(trifluoromethyl)phenyl]benzamide

Structural Information

Molecular Formula
C26H25F3N8O2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=NC(=NC(=N3)N4CCC(CC4)O)N5C=CN=C5
InChI
InChI=1S/C26H25F3N8O2/c1-16-5-6-17(22(39)31-19-4-2-3-18(14-19)26(27,28)29)13-21(16)32-23-33-24(36-10-7-20(38)8-11-36)35-25(34-23)37-12-9-30-15-37/h2-6,9,12-15,20,38H,7-8,10-11H2,1H3,(H,31,39)(H,32,33,34,35)
InChIKey
ZHVJHWWEVILTJQ-UHFFFAOYSA-N
Compound name
3-[[4-(4-hydroxypiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.20526 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.21254 216.9
[M+Na]+ 561.19448 225.9
[M+NH4]+ 556.23908 217.6
[M+K]+ 577.16842 223.5
[M-H]- 537.19798 218.0
[M+Na-2H]- 559.17993 223.5
[M]+ 538.20471 217.9
[M]- 538.20581 217.9
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.