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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11183 194.1
[M+Na]+ 436.09377 204.9
[M-H]- 412.09727 200.3
[M+NH4]+ 431.13837 206.8
[M+K]+ 452.06771 199.3
[M+H-H2O]+ 396.10181 187.0
[M+HCOO]- 458.10275 207.6
[M+CH3COO]- 472.11840 204.0
[M+Na-2H]- 434.07922 192.7
[M]+ 413.10400 200.9
[M]- 413.10510 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.