CID 3044709

4-pyrimidineacetamide, 2-(4-chlorophenyl)-n-hydroxy-6-((4-(1-pyrrolidinylcarbonyl)phenyl)amino)-

Structural Information

Molecular Formula
C23H22ClN5O3
SMILES
C1CCN(C1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC(=C3)CC(=O)NO)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H22ClN5O3/c24-17-7-3-15(4-8-17)22-26-19(14-21(30)28-32)13-20(27-22)25-18-9-5-16(6-10-18)23(31)29-11-1-2-12-29/h3-10,13,32H,1-2,11-12,14H2,(H,28,30)(H,25,26,27)
InChIKey
ZMWHWUPZPYNSBV-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-6-[4-(pyrrolidine-1-carbonyl)anilino]pyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1411 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.14838 204.2
[M+Na]+ 474.13032 208.7
[M-H]- 450.13382 211.6
[M+NH4]+ 469.17492 209.2
[M+K]+ 490.10426 201.6
[M+H-H2O]+ 434.13836 192.3
[M+HCOO]- 496.13930 216.8
[M+CH3COO]- 510.15495 210.9
[M+Na-2H]- 472.11577 203.5
[M]+ 451.14055 203.0
[M]- 451.14165 203.0
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.