CID 3044714

4-pyrimidineacetamide, 6-((2-(aminocarbonyl)phenyl)amino)-2-(3-fluorophenyl)-n-hydroxy-

Structural Information

Molecular Formula
C19H16FN5O3
SMILES
C1=CC=C(C(=C1)C(=O)N)NC2=NC(=NC(=C2)CC(=O)NO)C3=CC(=CC=C3)F
InChI
InChI=1S/C19H16FN5O3/c20-12-5-3-4-11(8-12)19-22-13(10-17(26)25-28)9-16(24-19)23-15-7-2-1-6-14(15)18(21)27/h1-9,28H,10H2,(H2,21,27)(H,25,26)(H,22,23,24)
InChIKey
UYQBISJYXBIHHJ-UHFFFAOYSA-N
Compound name
2-[[2-(3-fluorophenyl)-6-[2-(hydroxyamino)-2-oxoethyl]pyrimidin-4-yl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.12372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13100 187.4
[M+Na]+ 404.11294 193.3
[M-H]- 380.11644 192.0
[M+NH4]+ 399.15754 193.9
[M+K]+ 420.08688 187.6
[M+H-H2O]+ 364.12098 175.4
[M+HCOO]- 426.12192 207.5
[M+CH3COO]- 440.13757 224.5
[M+Na-2H]- 402.09839 190.2
[M]+ 381.12317 183.9
[M]- 381.12427 183.9
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.