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]+ 282.09068 161.9
[M+Na]+ 304.07262 171.2
[M-H]- 280.07612 164.7
[M+NH4]+ 299.11722 176.5
[M+K]+ 320.04656 166.7
[M+H-H2O]+ 264.08066 154.6
[M+HCOO]- 326.08160 173.8
[M+CH3COO]- 340.09725 172.8
[M+Na-2H]- 302.05807 165.6
[M]+ 281.08285 162.4
[M]- 281.08395 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.