CID 112944

Benzenediazonium, 5-[(butylamino)sulfonyl]-2-methoxy-

Structural Information

Molecular Formula
C11H16N3O3S
SMILES
CCCCNS(=O)(=O)C1=CC(=C(C=C1)OC)[N+]#N
InChI
InChI=1S/C11H16N3O3S/c1-3-4-7-13-18(15,16)9-5-6-11(17-2)10(8-9)14-12/h5-6,8,13H,3-4,7H2,1-2H3/q+1
InChIKey
PDUXJTPGYZCGRI-UHFFFAOYSA-N
Compound name
5-(butylsulfamoyl)-2-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

270.09125 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.098526 165.1
[M+Na]+ 293.080468 174.0
[M-H]- 269.083974 170.2
[M+NH4]+ 288.125073 180.1
[M+K]+ 309.054408 167.2
[M+H-H2O]+ 253.088510 154.1
[M+HCOO]- 315.089451 182.2
[M+CH3COO]- 329.105101 205.7
[M+Na-2H]- 291.065916 171.0
[M]+ 270.09070142 163.7
[M]- 270.09179858 163.7
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.