PubChemLite - Bms-986120 (C23H23N5O5S2)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(S1)N2CCOCC2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC

InChI

InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3

InChIKey

MINMDCMSHDBHKG-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]-5-methyl-1,3-thiazol-2-yl]morpholine

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]+	514.12138	210.1
[M+Na]+	536.10332	224.9
[M-H]-	512.10682	224.5
[M+NH4]+	531.14792	219.3
[M+K]+	552.07726	223.8
[M+H-H2O]+	496.11136	208.0
[M+HCOO]-	558.11230	222.1
[M+CH3COO]-	572.12795	221.4
[M+Na-2H]-	534.08877	203.6
[M]+	513.11355	225.8
[M]-	513.11465	225.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.12138

210.1

[M+Na]+

536.10332

224.9

[M-H]-

512.10682

224.5

[M+NH4]+

531.14792

219.3

[M+K]+

552.07726

223.8

[M+H-H2O]+

496.11136

208.0

[M+HCOO]-

558.11230

222.1

[M+CH3COO]-

572.12795

221.4

[M+Na-2H]-

534.08877

203.6

[M]+

513.11355

225.8

[M]-

513.11465

225.8

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

Bms-986120

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe