PubChemLite - Feniralstat (C26H25F2N5O4)

Structural Information

Molecular Formula

SMILES

COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=C(C=CC4=O)F

InChI

InChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35)

InChIKey

ZRUFVDPYHLTYPD-UHFFFAOYSA-N

Compound name

N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-1-[[4-[(5-fluoro-2-oxopyridin-1-yl)methyl]phenyl]methyl]-3-(methoxymethyl)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]+	510.19475	222.2
[M+Na]+	532.17669	230.4
[M-H]-	508.18019	228.2
[M+NH4]+	527.22129	224.1
[M+K]+	548.15063	223.0
[M+H-H2O]+	492.18473	206.7
[M+HCOO]-	554.18567	238.8
[M+CH3COO]-	568.20132	245.6
[M+Na-2H]-	530.16214	219.3
[M]+	509.18692	226.1
[M]-	509.18802	226.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.19475

222.2

[M+Na]+

532.17669

230.4

[M-H]-

508.18019

228.2

[M+NH4]+

527.22129

224.1

[M+K]+

548.15063

223.0

[M+H-H2O]+

492.18473

206.7

[M+HCOO]-

554.18567

238.8

[M+CH3COO]-

568.20132

245.6

[M+Na-2H]-

530.16214

219.3

[M]+

509.18692

226.1

[M]-

509.18802

226.1

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

Feniralstat

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe