CID 210944

21937-25-7

Structural Information

Molecular Formula
C21H24F3N3O2
SMILES
CC1CN(CC(O1)C)C(=O)CCN(C2=CC=NC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C21H24F3N3O2/c1-15-13-26(14-16(2)29-15)20(28)8-11-27(18-6-9-25-10-7-18)19-5-3-4-17(12-19)21(22,23)24/h3-7,9-10,12,15-16H,8,11,13-14H2,1-2H3
InChIKey
UCENMDDUPMWOAK-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylmorpholin-4-yl)-3-[N-pyridin-4-yl-3-(trifluoromethyl)anilino]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.18207 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18935 198.9
[M+Na]+ 430.17129 203.5
[M-H]- 406.17479 202.9
[M+NH4]+ 425.21589 205.2
[M+K]+ 446.14523 199.8
[M+H-H2O]+ 390.17933 184.8
[M+HCOO]- 452.18027 210.5
[M+CH3COO]- 466.19592 228.3
[M+Na-2H]- 428.15674 198.7
[M]+ 407.18152 194.3
[M]- 407.18262 194.3
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.