PubChemLite - Pf-04279405 (C25H25FN4O4)

Structural Information

Molecular Formula

SMILES

CC1(CC2=C(O1)C=C(C=C2OC3=CC(=C(C=C3)C(=O)N4CCC4)F)C(=O)NC5=NN(C=C5)C)C

InChI

InChI=1S/C25H25FN4O4/c1-25(2)14-18-20(33-16-5-6-17(19(26)13-16)24(32)30-8-4-9-30)11-15(12-21(18)34-25)23(31)27-22-7-10-29(3)28-22/h5-7,10-13H,4,8-9,14H2,1-3H3,(H,27,28,31)

InChIKey

MDMLUBFZTGYEGP-UHFFFAOYSA-N

Compound name

4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-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]+	465.19325	209.7
[M+Na]+	487.17519	215.0
[M-H]-	463.17869	219.3
[M+NH4]+	482.21979	212.1
[M+K]+	503.14913	214.6
[M+H-H2O]+	447.18323	194.0
[M+HCOO]-	509.18417	223.5
[M+CH3COO]-	523.19982	238.3
[M+Na-2H]-	485.16064	205.1
[M]+	464.18542	220.2
[M]-	464.18652	220.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.19325

209.7

[M+Na]+

487.17519

215.0

[M-H]-

463.17869

219.3

[M+NH4]+

482.21979

212.1

[M+K]+

503.14913

214.6

[M+H-H2O]+

447.18323

194.0

[M+HCOO]-

509.18417

223.5

[M+CH3COO]-

523.19982

238.3

[M+Na-2H]-

485.16064

205.1

[M]+

464.18542

220.2

[M]-

464.18652

220.3

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

Pf-04279405

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe