CID 3039012

42055-64-1

Structural Information

Molecular Formula
C16H17ClN4O3
SMILES
C1COCCN1C2=NC(=NC(=C2)CC(=O)NO)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN4O3/c17-12-3-1-11(2-4-12)16-18-13(10-15(22)20-23)9-14(19-16)21-5-7-24-8-6-21/h1-4,9,23H,5-8,10H2,(H,20,22)
InChIKey
VXFRSBRHNBXIFT-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0989 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10618 180.1
[M+Na]+ 371.08812 193.8
[M+NH4]+ 366.13272 186.0
[M+K]+ 387.06206 187.6
[M-H]- 347.09162 185.1
[M+Na-2H]- 369.07357 187.3
[M]+ 348.09835 183.5
[M]- 348.09945 183.5
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.