PubChemLite - 875337-44-3 (C26H20FN5O2S2)

Structural Information

Molecular Formula

SMILES

CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

InChI

InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)

InChIKey

UFICVEHDQUKCEA-UHFFFAOYSA-N

Compound name

N-[[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide

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]+	518.11153	213.0
[M+Na]+	540.09347	225.9
[M+NH4]+	535.13807	218.9
[M+K]+	556.06741	218.2
[M-H]-	516.09697	219.1
[M+Na-2H]-	538.07892	222.0
[M]+	517.10370	217.3
[M]-	517.10480	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.11153

213.0

[M+Na]+

540.09347

225.9

[M+NH4]+

535.13807

218.9

[M+K]+

556.06741

218.2

[M-H]-

516.09697

219.1

[M+Na-2H]-

538.07892

222.0

[M]+

517.10370

217.3

[M]-

517.10480

217.3

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

875337-44-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe