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	216.7
[M+Na]+	540.09347	226.5
[M-H]-	516.09697	226.9
[M+NH4]+	535.13807	224.2
[M+K]+	556.06741	217.9
[M+H-H2O]+	500.10151	207.8
[M+HCOO]-	562.10245	228.9
[M+CH3COO]-	576.11810	224.7
[M+Na-2H]-	538.07892	215.2
[M]+	517.10370	222.2
[M]-	517.10480	222.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.11153

216.7

[M+Na]+

540.09347

226.5

[M-H]-

516.09697

226.9

[M+NH4]+

535.13807

224.2

[M+K]+

556.06741

217.9

[M+H-H2O]+

500.10151

207.8

[M+HCOO]-

562.10245

228.9

[M+CH3COO]-

576.11810

224.7

[M+Na-2H]-

538.07892

215.2

[M]+

517.10370

222.2

[M]-

517.10480

222.2

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

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