CID 168711

Benzenediazonium, 5-((diethylamino)sulfonyl)-2-methoxy-

Structural Information

Molecular Formula
C11H16N3O3S
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)[N+]#N
InChI
InChI=1S/C11H16N3O3S/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12/h6-8H,4-5H2,1-3H3/q+1
InChIKey
QPRGGJBGRUMFBU-UHFFFAOYSA-N
Compound name
5-(diethylsulfamoyl)-2-methoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

34
Patents

270.09125 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.098526 165.2
[M+Na]+ 293.080468 174.3
[M-H]- 269.083974 171.6
[M+NH4]+ 288.125073 180.8
[M+K]+ 309.054408 168.7
[M+H-H2O]+ 253.088510 154.0
[M+HCOO]- 315.089451 182.8
[M+CH3COO]- 329.105101 208.7
[M+Na-2H]- 291.065916 170.5
[M]+ 270.09070142 164.9
[M]- 270.09179858 164.9
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

patents stripe