PubChemLite - Glpg2938 (C20H19F6N7O2)

Structural Information

Molecular Formula

SMILES

CCOC1=CC(=CC(=N1)C(F)(F)F)NC(=O)NCC2=NN=C(C(=C2)C)C3=CN(N=C3C(F)(F)F)C

InChI

InChI=1S/C20H19F6N7O2/c1-4-35-15-7-11(6-14(29-15)19(21,22)23)28-18(34)27-8-12-5-10(2)16(31-30-12)13-9-33(3)32-17(13)20(24,25)26/h5-7,9H,4,8H2,1-3H3,(H2,27,28,29,34)

InChIKey

MGJMUVKYINFAQC-UHFFFAOYSA-N

Compound name

1-[2-ethoxy-6-(trifluoromethyl)pyridin-4-yl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea

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]+	504.15773	216.3
[M+Na]+	526.13967	225.8
[M-H]-	502.14317	214.1
[M+NH4]+	521.18427	218.1
[M+K]+	542.11361	218.4
[M+H-H2O]+	486.14771	200.2
[M+HCOO]-	548.14865	225.8
[M+CH3COO]-	562.16430	244.5
[M+Na-2H]-	524.12512	215.8
[M]+	503.14990	212.7
[M]-	503.15100	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.15773

216.3

[M+Na]+

526.13967

225.8

[M-H]-

502.14317

214.1

[M+NH4]+

521.18427

218.1

[M+K]+

542.11361

218.4

[M+H-H2O]+

486.14771

200.2

[M+HCOO]-

548.14865

225.8

[M+CH3COO]-

562.16430

244.5

[M+Na-2H]-

524.12512

215.8

[M]+

503.14990

212.7

[M]-

503.15100

212.7

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

Glpg2938

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe