CID 7131703

5-(piperazine-1-sulfonyl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C11H14N4O3S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C11H14N4O3S/c16-11-13-9-2-1-8(7-10(9)14-11)19(17,18)15-5-3-12-4-6-15/h1-2,7,12H,3-6H2,(H2,13,14,16)
InChIKey
WXSIBTCKVIZDLA-UHFFFAOYSA-N
Compound name
5-piperazin-1-ylsulfonyl-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07867 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08595 162.3
[M+Na]+ 305.06789 171.4
[M-H]- 281.07139 161.2
[M+NH4]+ 300.11249 174.0
[M+K]+ 321.04183 164.6
[M+H-H2O]+ 265.07593 155.3
[M+HCOO]- 327.07687 170.4
[M+CH3COO]- 341.09252 171.4
[M+Na-2H]- 303.05334 165.6
[M]+ 282.07812 158.7
[M]- 282.07922 158.7
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

No patent data available for this compound.