CID 3044719

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

Structural Information

Molecular Formula
C22H23N5O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC(=CC(=N2)NC3=CC=CC=C3C(=O)N)CC(=O)NO
InChI
InChI=1S/C22H23N5O6/c1-31-16-8-12(9-17(32-2)20(16)33-3)22-24-13(11-19(28)27-30)10-18(26-22)25-15-7-5-4-6-14(15)21(23)29/h4-10,30H,11H2,1-3H3,(H2,23,29)(H,27,28)(H,24,25,26)
InChIKey
AYLUVQFDTAXKJB-UHFFFAOYSA-N
Compound name
2-[[6-[2-(hydroxyamino)-2-oxoethyl]-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.16483 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.17211 206.4
[M+Na]+ 476.15405 211.5
[M-H]- 452.15755 212.6
[M+NH4]+ 471.19865 210.1
[M+K]+ 492.12799 208.7
[M+H-H2O]+ 436.16209 194.3
[M+HCOO]- 498.16303 226.8
[M+CH3COO]- 512.17868 240.5
[M+Na-2H]- 474.13950 207.2
[M]+ 453.16428 209.7
[M]- 453.16538 209.7
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.