CID 5311510

Gnf-2

Structural Information

Molecular Formula
C18H13F3N4O2
SMILES
C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-6-4-13(5-7-14)25-16-9-15(23-10-24-16)11-2-1-3-12(8-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)
InChIKey
WEVYNIUIFUYDGI-UHFFFAOYSA-N
Compound name
3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

54158
Patents

374.09906 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10634 184.1
[M+Na]+ 397.08828 191.7
[M-H]- 373.09178 187.2
[M+NH4]+ 392.13288 191.9
[M+K]+ 413.06222 185.5
[M+H-H2O]+ 357.09632 170.7
[M+HCOO]- 419.09726 201.8
[M+CH3COO]- 433.11291 220.3
[M+Na-2H]- 395.07373 188.5
[M]+ 374.09851 179.5
[M]- 374.09961 179.5
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