CID 3044722

4-pyrimidineacetamide, n-hydroxy-6-((4-(1-piperidinylcarbonyl)phenyl)amino)-2-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C27H31N5O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)NC3=CC=C(C=C3)C(=O)N4CCCCC4)CC(=O)NO
InChI
InChI=1S/C27H31N5O6/c1-36-21-13-18(14-22(37-2)25(21)38-3)26-29-20(16-24(33)31-35)15-23(30-26)28-19-9-7-17(8-10-19)27(34)32-11-5-4-6-12-32/h7-10,13-15,35H,4-6,11-12,16H2,1-3H3,(H,31,33)(H,28,29,30)
InChIKey
JEAGUFAKIVDHFF-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[6-[4-(piperidine-1-carbonyl)anilino]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.2274 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.23468 223.8
[M+Na]+ 544.21662 225.7
[M-H]- 520.22012 230.5
[M+NH4]+ 539.26122 222.9
[M+K]+ 560.19056 221.9
[M+H-H2O]+ 504.22466 209.7
[M+HCOO]- 566.22560 237.5
[M+CH3COO]- 580.24125 249.3
[M+Na-2H]- 542.20207 222.7
[M]+ 521.22685 223.8
[M]- 521.22795 223.8
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.