CID 3039030

42055-82-3

Structural Information

Molecular Formula
C16H17FN4O3
SMILES
C1COCCN1C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)F
InChI
InChI=1S/C16H17FN4O3/c17-12-3-1-2-11(8-12)16-18-13(10-15(22)20-23)9-14(19-16)21-4-6-24-7-5-21/h1-3,8-9,23H,4-7,10H2,(H,20,22)
InChIKey
ZERAIUAUGDKYMS-UHFFFAOYSA-N
Compound name
2-[2-(3-fluorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13576 177.8
[M+Na]+ 355.11770 183.2
[M-H]- 331.12120 181.0
[M+NH4]+ 350.16230 184.3
[M+K]+ 371.09164 179.1
[M+H-H2O]+ 315.12574 165.4
[M+HCOO]- 377.12668 191.7
[M+CH3COO]- 391.14233 185.8
[M+Na-2H]- 353.10315 181.0
[M]+ 332.12793 173.2
[M]- 332.12903 173.2
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.