CID 3039020

42055-72-1

Structural Information

Molecular Formula
C16H19ClN4O2
SMILES
CCN(CC)C1=NC(=NC(=C1)CC(=O)NO)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H19ClN4O2/c1-3-21(4-2)14-9-13(10-15(22)20-23)18-16(19-14)11-6-5-7-12(17)8-11/h5-9,23H,3-4,10H2,1-2H3,(H,20,22)
InChIKey
NWZIEGFHCNEFTD-UHFFFAOYSA-N
Compound name
2-[2-(3-chlorophenyl)-6-(diethylamino)pyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.11966 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.126936 177.6
[M+Na]+ 357.108878 184.6
[M-H]- 333.112384 181.7
[M+NH4]+ 352.153483 188.9
[M+K]+ 373.082818 179.8
[M+H-H2O]+ 317.116920 168.3
[M+HCOO]- 379.117861 194.7
[M+CH3COO]- 393.133511 214.8
[M+Na-2H]- 355.094326 180.7
[M]+ 334.11911142 181.2
[M]- 334.12020858 181.2
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.