CID 3039029

42055-81-2

Structural Information

Molecular Formula
C16H17FN4O2
SMILES
C1CCN(C1)C2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)F
InChI
InChI=1S/C16H17FN4O2/c17-12-5-3-4-11(8-12)16-18-13(10-15(22)20-23)9-14(19-16)21-6-1-2-7-21/h3-5,8-9,23H,1-2,6-7,10H2,(H,20,22)
InChIKey
ZFJKUCFVGJBVDS-UHFFFAOYSA-N
Compound name
2-[2-(3-fluorophenyl)-6-pyrrolidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14082 171.8
[M+Na]+ 339.12276 177.9
[M-H]- 315.12626 175.0
[M+NH4]+ 334.16736 182.4
[M+K]+ 355.09670 172.6
[M+H-H2O]+ 299.13080 160.4
[M+HCOO]- 361.13174 188.8
[M+CH3COO]- 375.14739 180.9
[M+Na-2H]- 337.10821 172.8
[M]+ 316.13299 167.5
[M]- 316.13409 167.5
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.