CID 2400431

6-(piperidine-1-sulfonyl)-1h-1,3-benzodiazol-1-ol

Structural Information

Molecular Formula
C12H15N3O3S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN3O
InChI
InChI=1S/C12H15N3O3S/c16-15-9-13-11-5-4-10(8-12(11)15)19(17,18)14-6-2-1-3-7-14/h4-5,8-9,16H,1-3,6-7H2
InChIKey
MVQDUVNZEGDDJM-UHFFFAOYSA-N
Compound name
1-hydroxy-6-piperidin-1-ylsulfonylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.090676 161.9
[M+Na]+ 304.072618 171.2
[M-H]- 280.076124 164.7
[M+NH4]+ 299.117223 176.5
[M+K]+ 320.046558 166.7
[M+H-H2O]+ 264.080660 154.6
[M+HCOO]- 326.081601 173.8
[M+CH3COO]- 340.097251 172.8
[M+Na-2H]- 302.058066 165.6
[M]+ 281.08285142 162.4
[M]- 281.08394858 162.4
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.