CID 3039009

42055-61-8

Structural Information

Molecular Formula
C17H19ClN4O2
SMILES
C1CCN(CC1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN4O2/c18-13-6-4-12(5-7-13)17-19-14(11-16(23)21-24)10-15(20-17)22-8-2-1-3-9-22/h4-7,10,24H,1-3,8-9,11H2,(H,21,23)
InChIKey
XQKAYUQGQFPIFT-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.11966 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12694 180.1
[M+Na]+ 369.10888 185.6
[M-H]- 345.11238 183.5
[M+NH4]+ 364.15348 188.4
[M+K]+ 385.08282 179.0
[M+H-H2O]+ 329.11692 169.2
[M+HCOO]- 391.11786 190.8
[M+CH3COO]- 405.13351 188.0
[M+Na-2H]- 367.09433 182.6
[M]+ 346.11911 177.1
[M]- 346.12021 177.1
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.