PubChemLite - Pyflubumide (C25H31F6N3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=NN1C)C)C(=O)N(C2=CC(=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC)CC(C)C)C(=O)C(C)C

InChI

InChI=1S/C25H31F6N3O3/c1-13(2)11-17-12-18(9-10-19(17)23(37-8,24(26,27)28)25(29,30)31)34(21(35)14(3)4)22(36)20-15(5)32-33(7)16(20)6/h9-10,12-14H,11H2,1-8H3

InChIKey

DZVWKNFPXMUIFA-UHFFFAOYSA-N

Compound name

N-[4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-3-(2-methylpropyl)phenyl]-1,3,5-trimethyl-N-(2-methylpropanoyl)pyrazole-4-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	536.23428	220.0
[M+Na]+	558.21622	221.3
[M+NH4]+	553.26082	218.2
[M+K]+	574.19016	221.0
[M-H]-	534.21972	212.0
[M+Na-2H]-	556.20167	217.0
[M]+	535.22645	217.3
[M]-	535.22755	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

536.23428

220.0

[M+Na]+

558.21622

221.3

[M+NH4]+

553.26082

218.2

[M+K]+

574.19016

221.0

[M-H]-

534.21972

212.0

[M+Na-2H]-

556.20167

217.0

[M]+

535.22645

217.3

[M]-

535.22755

217.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pyflubumide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe