CID 118753052

Mn7r3q8qxv

Structural Information

Molecular Formula

C₂₀H₁₉N₃O₅S

SMILES

CN1C2=C(C=CC(=C2)OC)N=C1COC3=CC=C(C=C3)CC4(C(=O)NC(=O)S4)O

InChI

InChI=1S/C20H19N3O5S/c1-23-16-9-14(27-2)7-8-15(16)21-17(23)11-28-13-5-3-12(4-6-13)10-20(26)18(24)22-19(25)29-20/h3-9,26H,10-11H2,1-2H3,(H,22,24,25)

InChIKey

XNQOLTRRIYKGSB-UHFFFAOYSA-N

Compound name

5-hydroxy-5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 413.10455 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

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]+	414.111826	194.1
[M+Na]+	436.093768	204.9
[M-H]-	412.097274	200.3
[M+NH4]+	431.138373	206.8
[M+K]+	452.067708	199.3
[M+H-H2O]+	396.101810	187.0
[M+HCOO]-	458.102751	207.6
[M+CH3COO]-	472.118401	204.0
[M+Na-2H]-	434.079216	192.7
[M]+	413.10400142	200.9
[M]-	413.10509858	200.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.