CID 2400480

6-(morpholine-4-sulfonyl)-1h-1,3-benzodiazol-1-ol

Structural Information

Molecular Formula
C11H13N3O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)N=CN3O
InChI
InChI=1S/C11H13N3O4S/c15-14-8-12-10-2-1-9(7-11(10)14)19(16,17)13-3-5-18-6-4-13/h1-2,7-8,15H,3-6H2
InChIKey
UKWFOAUDNJUWOC-UHFFFAOYSA-N
Compound name
4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

283.06268 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.06996 159.6
[M+Na]+ 306.05190 169.3
[M-H]- 282.05540 163.2
[M+NH4]+ 301.09650 172.7
[M+K]+ 322.02584 166.6
[M+H-H2O]+ 266.05994 152.5
[M+HCOO]- 328.06088 171.3
[M+CH3COO]- 342.07653 170.8
[M+Na-2H]- 304.03735 164.4
[M]+ 283.06213 161.6
[M]- 283.06323 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.