CID 71777699

1520083-61-7

Structural Information

Molecular Formula
C14H10F6N4O3
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO
InChI
InChI=1S/C14H10F6N4O3/c15-13(16,17)7-1-6(2-8(3-7)14(18,19)20)4-21-12-22-5-9(10(25)23-12)11(26)24-27/h1-3,5,27H,4H2,(H,24,26)(H2,21,22,23,25)
InChIKey
FNNKXGWDBVPDKY-UHFFFAOYSA-N
Compound name
2-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-N-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

396.0657 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.07298 182.7
[M+Na]+ 419.05492 191.5
[M-H]- 395.05842 177.5
[M+NH4]+ 414.09952 189.3
[M+K]+ 435.02886 185.1
[M+H-H2O]+ 379.06296 169.4
[M+HCOO]- 441.06390 193.6
[M+CH3COO]- 455.07955 218.7
[M+Na-2H]- 417.04037 185.3
[M]+ 396.06515 173.2
[M]- 396.06625 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

literature stripe

Patent stripe

patents stripe