CID 210942

21937-24-6

Structural Information

Molecular Formula
C19H20F3N3O2
SMILES
C1COCCN1C(=O)CCN(C2=CC=NC=C2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H20F3N3O2/c20-19(21,22)15-2-1-3-17(14-15)25(16-4-7-23-8-5-16)9-6-18(26)24-10-12-27-13-11-24/h1-5,7-8,14H,6,9-13H2
InChIKey
ZTGBFAACUIFCOB-UHFFFAOYSA-N
Compound name
1-morpholin-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

379.15076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15804 188.5
[M+Na]+ 402.13998 192.0
[M-H]- 378.14348 191.9
[M+NH4]+ 397.18458 195.2
[M+K]+ 418.11392 188.7
[M+H-H2O]+ 362.14802 174.3
[M+HCOO]- 424.14896 200.7
[M+CH3COO]- 438.16461 220.0
[M+Na-2H]- 400.12543 190.8
[M]+ 379.15021 182.4
[M]- 379.15131 182.4
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.