CID 91929

Einecs 259-895-3

Structural Information

Molecular Formula
C19H19N2O4S
SMILES
CN1C2=C(C=CC(=C2)S(=O)(=O)C)[N+](=C1C3=CC4=C(O3)C=C(C=C4)OC)C
InChI
InChI=1S/C19H19N2O4S/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/h5-11H,1-4H3/q+1
InChIKey
NGWGVNKWZALWFL-UHFFFAOYSA-N
Compound name
2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonylbenzimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

371.10657 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11385 189.3
[M+Na]+ 394.09579 203.8
[M-H]- 370.09929 199.4
[M+NH4]+ 389.14039 204.7
[M+K]+ 410.06973 194.6
[M+H-H2O]+ 354.10383 186.1
[M+HCOO]- 416.10477 206.7
[M+CH3COO]- 430.12042 208.3
[M+Na-2H]- 392.08124 194.5
[M]+ 371.10602 200.7
[M]- 371.10712 200.7
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

patents stripe