CID 75495194

2-fluoro-n-[1-(morpholin-4-yl)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C15H16F4N2O3
SMILES
CC(C(=O)N1CCOCC1)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)F
InChI
InChI=1S/C15H16F4N2O3/c1-9(14(23)21-4-6-24-7-5-21)20-13(22)11-8-10(15(17,18)19)2-3-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,20,22)
InChIKey
FDNRMYFYYOWPNU-UHFFFAOYSA-N
Compound name
2-fluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1097 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11698 177.0
[M+Na]+ 371.09892 181.7
[M-H]- 347.10242 177.0
[M+NH4]+ 366.14352 186.6
[M+K]+ 387.07286 179.7
[M+H-H2O]+ 331.10696 165.3
[M+HCOO]- 393.10790 187.7
[M+CH3COO]- 407.12355 212.7
[M+Na-2H]- 369.08437 176.4
[M]+ 348.10915 169.1
[M]- 348.11025 169.1
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.