CID 78321815

N-[2-(4-cyclopropylphenyl)-1,1-dimethyl-2-oxo-ethyl]-2,6-difluoro-benzamide

Structural Information

Molecular Formula
C20H19F2NO2
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)C2CC2)NC(=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C20H19F2NO2/c1-20(2,23-19(25)17-15(21)4-3-5-16(17)22)18(24)14-10-8-13(9-11-14)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,23,25)
InChIKey
CXKVGCIATMVZLA-UHFFFAOYSA-N
Compound name
N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

343.1384 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14568 170.4
[M+Na]+ 366.12762 178.3
[M-H]- 342.13112 178.0
[M+NH4]+ 361.17222 178.7
[M+K]+ 382.10156 173.0
[M+H-H2O]+ 326.13566 160.9
[M+HCOO]- 388.13660 189.7
[M+CH3COO]- 402.15225 217.9
[M+Na-2H]- 364.11307 172.0
[M]+ 343.13785 170.8
[M]- 343.13895 170.8
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

patents stripe