CID 3044777

4-pyrimidineacetamide, n-hydroxy-6-((4-(4-morpholinylcarbonyl)phenyl)amino)-2-(3-(trifluoromethyl)phenyl)-

Structural Information

Molecular Formula
C24H22F3N5O4
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=C3)CC(=O)NO)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C24H22F3N5O4/c25-24(26,27)17-3-1-2-16(12-17)22-29-19(14-21(33)31-35)13-20(30-22)28-18-6-4-15(5-7-18)23(34)32-8-10-36-11-9-32/h1-7,12-13,35H,8-11,14H2,(H,31,33)(H,28,29,30)
InChIKey
JSAGWLQKQXKKQA-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-[4-(morpholine-4-carbonyl)anilino]-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.16238 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.16966 217.2
[M+Na]+ 524.15160 220.4
[M-H]- 500.15510 220.6
[M+NH4]+ 519.19620 215.7
[M+K]+ 540.12554 215.1
[M+H-H2O]+ 484.15964 201.4
[M+HCOO]- 546.16058 226.0
[M+CH3COO]- 560.17623 241.4
[M+Na-2H]- 522.13705 218.1
[M]+ 501.16183 209.9
[M]- 501.16293 209.9
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.