CID 44129660

Gnf-5

Structural Information

Molecular Formula
C20H17F3N4O3
SMILES
C1=CC(=CC(=C1)C(=O)NCCO)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C20H17F3N4O3/c21-20(22,23)30-16-6-4-15(5-7-16)27-18-11-17(25-12-26-18)13-2-1-3-14(10-13)19(29)24-8-9-28/h1-7,10-12,28H,8-9H2,(H,24,29)(H,25,26,27)
InChIKey
IIQUYGWWHIHOCF-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

133
Patents

418.12527 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13255 191.8
[M+Na]+ 441.11449 200.8
[M+NH4]+ 436.15909 194.3
[M+K]+ 457.08843 195.9
[M-H]- 417.11799 191.4
[M+Na-2H]- 439.09994 198.3
[M]+ 418.12472 192.5
[M]- 418.12582 192.5
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