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]+ 335.12694 177.6
[M+Na]+ 357.10888 190.4
[M+NH4]+ 352.15348 183.8
[M+K]+ 373.08282 183.8
[M-H]- 333.11238 181.0
[M+Na-2H]- 355.09433 184.9
[M]+ 334.11911 180.5
[M]- 334.12021 180.5
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.