CID 2796075

Mls000833583

Structural Information

Molecular Formula
C17H21F3N4O3
SMILES
COC1=CC=C(C=C1)OCC(CNCCNC2=NC=CC(=N2)C(F)(F)F)O
InChI
InChI=1S/C17H21F3N4O3/c1-26-13-2-4-14(5-3-13)27-11-12(25)10-21-8-9-23-16-22-7-6-15(24-16)17(18,19)20/h2-7,12,21,25H,8-11H2,1H3,(H,22,23,24)
InChIKey
STAUVZDEXRLSKJ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenoxy)-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

386.1566 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.163876 186.8
[M+Na]+ 409.145818 191.6
[M-H]- 385.149324 185.1
[M+NH4]+ 404.190423 194.0
[M+K]+ 425.119758 187.2
[M+H-H2O]+ 369.153860 174.0
[M+HCOO]- 431.154801 202.8
[M+CH3COO]- 445.170451 221.1
[M+Na-2H]- 407.131266 190.7
[M]+ 386.15605142 185.1
[M]- 386.15714858 185.1
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

No patent data available for this compound.