CID 71587531

151602-51-6

Structural Information

Molecular Formula
C17H19N3O5S
SMILES
CC1=C(C(=CN=C1CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC
InChI
InChI=1S/C17H19N3O5S/c1-10-15(18-7-11(8-21)16(10)25-3)9-26(22,23)17-19-13-5-4-12(24-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKey
NXSJDCMGNOAVHM-UHFFFAOYSA-N
Compound name
[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methylpyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

377.10455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11183 188.4
[M+Na]+ 400.09377 201.3
[M+NH4]+ 395.13837 192.9
[M+K]+ 416.06771 196.4
[M-H]- 376.09727 188.4
[M+Na-2H]- 398.07922 192.7
[M]+ 377.10400 190.6
[M]- 377.10510 190.6
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