CID 3039023

4-pyrimidineacetamide, 2-(3-chlorophenyl)-n-hydroxy-6-(1-pyrrolidinyl)-

Structural Information

Molecular Formula
C16H17ClN4O2
SMILES
C1CCN(C1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H17ClN4O2/c17-12-5-3-4-11(8-12)16-18-13(10-15(22)20-23)9-14(19-16)21-6-1-2-7-21/h3-5,8-9,23H,1-2,6-7,10H2,(H,20,22)
InChIKey
NJYDDQAFZVXDEJ-UHFFFAOYSA-N
Compound name
2-[2-(3-chlorophenyl)-6-pyrrolidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.104 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11128 175.7
[M+Na]+ 355.09322 182.5
[M-H]- 331.09672 180.0
[M+NH4]+ 350.13782 186.6
[M+K]+ 371.06716 176.2
[M+H-H2O]+ 315.10126 165.5
[M+HCOO]- 377.10220 189.1
[M+CH3COO]- 391.11785 184.9
[M+Na-2H]- 353.07867 176.8
[M]+ 332.10345 174.6
[M]- 332.10455 174.6
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.