CID 3018546

Dtxsid10891103

Structural Information

Molecular Formula
C19H20N2O4S
SMILES
CN1C(N(C2=C1C=CC(=C2)S(=O)(=O)C)C)C3=CC4=C(O3)C=C(C=C4)OC
InChI
InChI=1S/C19H20N2O4S/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18/h5-11,19H,1-4H3
InChIKey
XSKFLKVSNXDGLS-UHFFFAOYSA-N
Compound name
2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.11438 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12166 188.4
[M+Na]+ 395.10360 201.6
[M-H]- 371.10710 197.4
[M+NH4]+ 390.14820 204.1
[M+K]+ 411.07754 198.2
[M+H-H2O]+ 355.11164 183.1
[M+HCOO]- 417.11258 203.6
[M+CH3COO]- 431.12823 200.9
[M+Na-2H]- 393.08905 189.2
[M]+ 372.11383 198.9
[M]- 372.11493 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.