CID 170717998

Vvd-214

Structural Information

Molecular Formula
C20H21F2N3O4S
SMILES
CC(C1=NC=C(C(=N1)OC2=CC=CC=C2)C(=O)N[C@H](/C=C/S(=O)(=O)C)C3CC3)(F)F
InChI
InChI=1S/C20H21F2N3O4S/c1-20(21,22)19-23-12-15(18(25-19)29-14-6-4-3-5-7-14)17(26)24-16(13-8-9-13)10-11-30(2,27)28/h3-7,10-13,16H,8-9H2,1-2H3,(H,24,26)/b11-10+/t16-/m1/s1
InChIKey
UWPFUBNCDABUEE-SIFUEBAJSA-N
Compound name
N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.12207 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.12935 202.8
[M+Na]+ 460.11129 211.3
[M+NH4]+ 455.15589 205.7
[M+K]+ 476.08523 207.4
[M-H]- 436.11479 207.6
[M+Na-2H]- 458.09674 209.0
[M]+ 437.12152 206.4
[M]- 437.12262 206.4
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.