PubChemLite - Bms-986141 (C27H23N5O5S2)

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=NC(=CS2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC

InChI

InChI=1S/C27H23N5O5S2/c1-31(2)25(33)16-7-5-15(6-8-16)24-28-17(14-38-24)13-36-21-9-18(34-3)10-22-19(21)11-23(37-22)20-12-32-26(29-20)39-27(30-32)35-4/h5-12,14H,13H2,1-4H3

InChIKey

KEEBLYWBELVGPQ-UHFFFAOYSA-N

Compound name

4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-N,N-dimethylbenzamide

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]+	562.12138	225.0
[M+Na]+	584.10332	239.7
[M+NH4]+	579.14792	231.0
[M+K]+	600.07726	237.3
[M-H]-	560.10682	232.8
[M+Na-2H]-	582.08877	232.0
[M]+	561.11355	230.4
[M]-	561.11465	230.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

562.12138

225.0

[M+Na]+

584.10332

239.7

[M+NH4]+

579.14792

231.0

[M+K]+

600.07726

237.3

[M-H]-

560.10682

232.8

[M+Na-2H]-

582.08877

232.0

[M]+

561.11355

230.4

[M]-

561.11465

230.4

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

Bms-986141

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe